CID 12368542

2,6-dimethylisonicotinonitrile

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=CC(=CC(=N1)C)C#N

InChI

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

InChIKey

TXBLTSMCEXEFMI-UHFFFAOYSA-N

Compound name

2,6-dimethylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 132.06874 Da
Monoisotopic Mass: 1.4
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

literature stripe

Patent stripe

patents stripe