CID 74211

Pyridine-3,4-dicarbonitrile

Structural Information

Molecular Formula

C₇H₃N₃

SMILES

C1=CN=CC(=C1C#N)C#N

InChI

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

InChIKey

ALJUMASAQKRVRM-UHFFFAOYSA-N

Compound name

pyridine-3,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 270
Patents: 129.0327 Da
Monoisotopic Mass: 0.2
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]+	130.03998	156.9
[M+Na]+	152.02192	166.4
[M+NH4]+	147.06652	158.0
[M+K]+	167.99586	155.7
[M-H]-	128.02542	147.1
[M+Na-2H]-	150.00737	157.4
[M]+	129.03215	154.2
[M]-	129.03325	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe