CID 79

3-cyanopyridine

Structural Information

Molecular Formula

C₆H₄N₂

SMILES

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

InChI

InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H

InChIKey

GZPHSAQLYPIAIN-UHFFFAOYSA-N

Compound name

pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 96
References: 13511
Patents: 104.037445 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]+	105.04472	121.3
[M+Na]+	127.02666	134.6
[M+NH4]+	122.07127	127.2
[M+K]+	143.00060	124.8
[M-H]-	103.03017	116.3
[M+Na-2H]-	125.01211	127.3
[M]+	104.03690	121.0
[M]-	104.03799	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe