CID 7522

2-cyanopyridine

Structural Information

Molecular Formula

C₆H₄N₂

SMILES

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

InChI

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

InChIKey

FFNVQNRYTPFDDP-UHFFFAOYSA-N

Compound name

pyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 52
References: 18090
Patents: 104.037445 Da
Monoisotopic Mass: 0.4
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	117.2
[M+Na]+	127.02666	127.7
[M-H]-	103.03017	119.2
[M+NH4]+	122.07127	136.6
[M+K]+	143.00060	125.5
[M+H-H2O]+	87.034705	104.6
[M+HCOO]-	149.03565	137.7
[M+CH3COO]-	163.05130	180.0
[M+Na-2H]-	125.01211	126.5
[M]+	104.03690	111.5
[M]-	104.03799	111.5

Literature stripe

literature stripe

Patent stripe

patents stripe