CID 70956

Pyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula

C₇H₃N₃

SMILES

C1=C(C=NC=C1C#N)C#N

InChI

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

InChIKey

UHPIOPMELXIDLL-UHFFFAOYSA-N

Compound name

pyridine-3,5-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 495
Patents: 129.0327 Da
Monoisotopic Mass: 0.3
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]+	130.039976	138.4
[M+Na]+	152.021918	148.7
[M-H]-	128.025424	140.7
[M+NH4]+	147.066523	151.8
[M+K]+	167.995858	145.9
[M+H-H2O]+	112.029960	122.8
[M+HCOO]-	174.030901	151.1
[M+CH3COO]-	188.046551	208.0
[M+Na-2H]-	150.007366	142.9
[M]+	129.03215142	130.0
[M]-	129.03324858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe