CID 639521

6-methyl-2,2'-bipyridine

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

CC1=NC(=CC=C1)C2=CC=CC=N2

InChI

InChI=1S/C11H10N2/c1-9-5-4-7-11(13-9)10-6-2-3-8-12-10/h2-8H,1H3

InChIKey

LLCYXFYLGPOKQO-UHFFFAOYSA-N

Compound name

2-methyl-6-pyridin-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 453
Patents: 170.0844 Da
Monoisotopic Mass: 2.1
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	134.9
[M+Na]+	193.07362	143.9
[M-H]-	169.07712	139.1
[M+NH4]+	188.11822	152.5
[M+K]+	209.04756	140.3
[M+H-H2O]+	153.08166	126.5
[M+HCOO]-	215.08260	157.6
[M+CH3COO]-	229.09825	148.4
[M+Na-2H]-	191.05907	144.1
[M]+	170.08385	134.3
[M]-	170.08495	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe