CID 73553511

13602-63-6

Structural Information

Molecular Formula

C₅H₄N₂O₄

SMILES

C1=CN(C(=O)C=C1[N+](=O)[O-])O

InChI

InChI=1S/C5H4N2O4/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H

InChIKey

IIXCVZDBSXUKDT-UHFFFAOYSA-N

Compound name

1-hydroxy-4-nitropyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.0171 Da
Monoisotopic Mass: -0.6
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]+	157.02438	123.4
[M+Na]+	179.00632	132.9
[M-H]-	155.00982	125.5
[M+NH4]+	174.05092	141.8
[M+K]+	194.98026	127.5
[M+H-H2O]+	139.01436	122.2
[M+HCOO]-	201.01530	148.3
[M+CH3COO]-	215.03095	165.7
[M+Na-2H]-	176.99177	133.2
[M]+	156.01655	122.2
[M]-	156.01765	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe