CID 23003409

57261-60-6

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=C(C(=NC=C1)C#N)C

InChI

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

InChIKey

OPNUUWMXUITYNB-UHFFFAOYSA-N

Compound name

3,4-dimethylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 132.06874 Da
Monoisotopic Mass: 1.6
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