CID 28302

17132-78-4

Structural Information

Molecular Formula

C₇H₃N₃

SMILES

C1=CC(=C(N=C1)C#N)C#N

InChI

InChI=1S/C7H3N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H

InChIKey

GHFGOVUYCKZOJH-UHFFFAOYSA-N

Compound name

pyridine-2,3-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1026
Patents: 129.0327 Da
Monoisotopic Mass: 0.6
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]+	130.03998	138.4
[M+Na]+	152.02192	148.7
[M-H]-	128.02542	140.7
[M+NH4]+	147.06652	151.8
[M+K]+	167.99586	145.9
[M+H-H2O]+	112.02996	122.8
[M+HCOO]-	174.03090	151.1
[M+CH3COO]-	188.04655	208.0
[M+Na-2H]-	150.00737	142.9
[M]+	129.03215	130.0
[M]-	129.03325	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe