CID 75863

2654-66-2

Structural Information

Molecular Formula

C₁₃H₁₄N

SMILES

CC1=CC=CC=[N+]1CC2=CC=CC=C2

InChI

InChI=1S/C13H14N/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1

InChIKey

GZODBWVCIKIWKC-UHFFFAOYSA-N

Compound name

1-benzyl-2-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 901
Patents: 184.11263 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.119906	141.8
[M+Na]+	207.101848	149.7
[M-H]-	183.105354	147.5
[M+NH4]+	202.146453	160.0
[M+K]+	223.075788	140.6
[M+H-H2O]+	167.109890	136.8
[M+HCOO]-	229.110831	164.9
[M+CH3COO]-	243.126481	176.5
[M+Na-2H]-	205.087296	151.9
[M]+	184.11208142	140.3
[M]-	184.11317858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe