CID 76136

2876-13-3

Structural Information

Molecular Formula

C₁₂H₁₂N

SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2

InChI

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

InChIKey

NDZFNTHGIIQMQI-UHFFFAOYSA-N

Compound name

1-benzylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 3443
Patents: 170.09697 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]+	171.10425	134.4
[M+Na]+	193.08619	152.8
[M+NH4]+	188.13079	145.9
[M+K]+	209.06013	144.2
[M-H]-	169.08969	141.6
[M+Na-2H]-	191.07164	147.5
[M]+	170.09642	139.7
[M]-	170.09752	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe