CID 10261236

2-cyano-5-nitropyridine

Structural Information

Molecular Formula

C₆H₃N₃O₂

SMILES

C1=CC(=NC=C1[N+](=O)[O-])C#N

InChI

InChI=1S/C6H3N3O2/c7-3-5-1-2-6(4-8-5)9(10)11/h1-2,4H

InChIKey

YZDHDHMJKCKESU-UHFFFAOYSA-N

Compound name

5-nitropyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 149.02252 Da
Monoisotopic Mass: 1.3
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]+	150.02980	130.3
[M+Na]+	172.01174	140.1
[M-H]-	148.01524	132.3
[M+NH4]+	167.05634	147.2
[M+K]+	187.98568	134.8
[M+H-H2O]+	132.01978	121.4
[M+HCOO]-	194.02072	151.6
[M+CH3COO]-	208.03637	182.2
[M+Na-2H]-	169.99719	139.0
[M]+	149.02197	123.6
[M]-	149.02307	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe