CID 422964

1132-37-2

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

C1=CC=NC(=C1)CC2=CC=CC=N2

InChI

InChI=1S/C11H10N2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h1-8H,9H2

InChIKey

JVYGSYTXAREMJK-UHFFFAOYSA-N

Compound name

2-(pyridin-2-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1844
Patents: 170.0844 Da
Monoisotopic Mass: 1.8
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]+	171.09168	134.8
[M+Na]+	193.07362	142.9
[M-H]-	169.07712	138.6
[M+NH4]+	188.11822	152.1
[M+K]+	209.04756	139.2
[M+H-H2O]+	153.08166	126.3
[M+HCOO]-	215.08260	157.6
[M+CH3COO]-	229.09825	148.0
[M+Na-2H]-	191.05907	144.9
[M]+	170.08385	133.8
[M]-	170.08495	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe