CID 79453

2-hydroxy-5-nitropyridine

Structural Information

Molecular Formula

C₅H₄N₂O₃

SMILES

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

InChI

InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)

InChIKey

XKWSQIMYNVLGBO-UHFFFAOYSA-N

Compound name

5-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1035
Patents: 140.02219 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]+	141.02947	120.9
[M+Na]+	163.01141	129.6
[M-H]-	139.01491	122.7
[M+NH4]+	158.05601	139.8
[M+K]+	178.98535	123.8
[M+H-H2O]+	123.01945	119.8
[M+HCOO]-	185.02039	145.7
[M+CH3COO]-	199.03604	162.5
[M+Na-2H]-	160.99686	131.2
[M]+	140.02164	118.0
[M]-	140.02274	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe