CID 69737

2,2'-dimethyl-4,4'-bipyridine

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

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

InChI

InChI=1S/C12H12N2/c1-9-7-11(3-5-13-9)12-4-6-14-10(2)8-12/h3-8H,1-2H3

InChIKey

WSTOEGIEWBZMLU-UHFFFAOYSA-N

Compound name

2-methyl-4-(2-methyl-4-pyridinyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 184.10005 Da
Monoisotopic Mass: 2.2
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]+	185.107326	139.4
[M+Na]+	207.089268	149.0
[M-H]-	183.092774	143.9
[M+NH4]+	202.133873	156.8
[M+K]+	223.063208	145.1
[M+H-H2O]+	167.097310	131.1
[M+HCOO]-	229.098251	161.8
[M+CH3COO]-	243.113901	152.9
[M+Na-2H]-	205.074716	147.4
[M]+	184.09950142	139.6
[M]-	184.10059858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe