CAS 15519-25-2 | Pyridinium, 1-(phenylmethyl)- | CAS Number 15519-25-2

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15519-25-2 | Pyridinium, 1-(phenylmethyl)-

CAS No: 15519-25-2 Catalog No: AG001NPN MDL No:

Product Description

Catalog Number:

AG001NPN

Chemical Name:

Pyridinium, 1-(phenylmethyl)-

CAS Number:

15519-25-2

Molecular Formula:

C12H12N+

Molecular Weight:

170.2304

IUPAC Name:

1-benzylpyridin-1-ium

InChI:

InChI=1S/C12H12N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/q+1

InChI Key:

NDZFNTHGIIQMQI-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)C[n+]1ccccc1

Properties

Complexity:

132

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.235g/mol

Monoisotopic Mass:

170.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

3.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Surface acoustic wave nebulization produces ions with lower internal energy than electrospray ionization.	Journal of the American Society for Mass Spectrometry 20120601
Laser-induced thermal desorption facilitates postsource decay of peptide ions.	Journal of the American Society for Mass Spectrometry 20120501
3,5-Dimethyl-1-(4-nitro-benz-yl)pyridinium bis-(benzene-1,2-dithiol-ato-κ(2)S,S')nickelate(III).	Acta crystallographica. Section E, Structure reports online 20120401
Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.	PloS one 20120101
Concomitant hydride and proton transfer: an essay on competing and consecutive key reactions occurring in gaseousion/neutral complexes.	European journal of mass spectrometry (Chichester, England) 20120101
1-(4-Iodo-benz-yl)-3-methyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).	Acta crystallographica. Section E, Structure reports online 20111101
Stack pattern of the countercation-modulating magnetic property of low-dimensional [Pt(mnt)₂]⁻ monoanion spin systems.	Inorganic chemistry 20110502
1-(4-Cyano-benz-yl)-3,5-dimethyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).	Acta crystallographica. Section E, Structure reports online 20110301
Non-thermal internal energy distribution of ions observed in an electrospray source interfaced with a sector mass spectrometer.	Journal of mass spectrometry : JMS 20110201
Energy-dependent dissociation of benzylpyridinium ions in an ion-trap mass spectrometer.	Journal of mass spectrometry : JMS 20101101
4,4'-Dimethyl-1,1'-(p-phenyl-enedimethyl-ene)dipyridinium bis-[7,7,8,8-tetra-cyano-quinodimethanide(1-)].	Acta crystallographica. Section E, Structure reports online 20100601
Non-aqueous spray solvents and solubility effects in desorption electrospray ionization.	Journal of the American Society for Mass Spectrometry 20100401
1-(3,4-Dichloro-benz-yl)-3-methyl-quinolin-1-ium 7,7,8,8-tetra-cyano-quinodimethanide.	Acta crystallographica. Section E, Structure reports online 20100201
Fragmentation of benzylpyridinium 'thermometer' ions and its effect on the accuracy of internal energy calibration.	Journal of the American Society for Mass Spectrometry 20100101
Investigations of the fragmentation pathways of benzylpyridinium ions under ESI/MS conditions.	Journal of mass spectrometry : JMS 20091201
Ion desorption efficiency and internal energy transfer in carbon-based surface-assisted laser desorption/ionization mass spectrometry: desorption mechanism(s) and the design of SALDI substrates.	Analytical chemistry 20090615
A method for monitoring and controlling reproducibility of intensity data in complex electrospray mass spectra: a thermometer ion-based strategy.	Journal of the American Society for Mass Spectrometry 20090301
Theoretical and experimental study of tropylium formation from substituted benzylpyridinium species.	Journal of mass spectrometry : JMS 20090101
A charge-transfer salt, 3,5-dimethyl-1-(4-nitro-benz-yl)pyridinium 7,7,8,8-tetra-cyano-quinodimethane.	Acta crystallographica. Section E, Structure reports online 20080501
Ion internal energy distributions validate the charge residue model for small molecule ion formation by spray methods.	Rapid communications in mass spectrometry : RCM 20080401
Internal energy transfer in laser desorption/ionization from silicon nanowires.	The journal of physical chemistry. B 20060713
Surface modification and laser pulse length effects on internal energy transfer in DIOS.	The journal of physical chemistry. B 20051229
Theoretical studies on the magnetic switching controlled by stacking patterns of bis(maleonitriledithiolato) nickelate(III) dimers.	Journal of the American Chemical Society 20051019
Internal energy distribution in electrospray ionization.	Journal of mass spectrometry : JMS 20050101
Internal energy build-up in matrix-assisted laser desorption/ionization.	Journal of mass spectrometry : JMS 20040601
Thermometer ions for matrix-enhanced laser desorption/ionization internal energy calibration.	Rapid communications in mass spectrometry : RCM 20030101
Quaternary salts of E2020 analogues as acetylcholinesterase inhibitors for the reversal of neuromuscular block.	Bioorganic & medicinal chemistry letters 20020916
Bioorganometallic chemistry. 13. Regioselective reduction of NAD(+) models, 1-benzylnicotinamde triflate and beta-nicotinamide ribose-5'-methyl phosphate, with in situ generated [CpRh(Bpy)H](+): structure-activity relationships, kinetics, and mechanistic aspects in the formation of the 1,4-NADH derivatives.	Inorganic chemistry 20011217