CID 21599048

5,6-dimethylnicotinonitrile

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=CC(=CN=C1C)C#N

InChI

InChI=1S/C8H8N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,1-2H3

InChIKey

WKGURDJVSXADDE-UHFFFAOYSA-N

Compound name

5,6-dimethylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 132.06874 Da
Monoisotopic Mass: 1.3
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]+	133.07602	127.0
[M+Na]+	155.05796	140.6
[M+NH4]+	150.10256	132.6
[M+K]+	171.03190	130.9
[M-H]-	131.06146	122.1
[M+Na-2H]-	153.04341	132.3
[M]+	132.06819	126.8
[M]-	132.06929	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe