CID 14775563

88511-57-3

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

C1=CNC(=O)C(=C1N)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H3,6,7,9)

InChIKey

RGLDNSAKBSIEHN-UHFFFAOYSA-N

Compound name

4-amino-3-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 155.0331 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]+	156.04038	124.9
[M+Na]+	178.02232	137.2
[M+NH4]+	173.06692	131.9
[M+K]+	193.99626	135.7
[M-H]-	154.02582	126.9
[M+Na-2H]-	176.00777	130.6
[M]+	155.03255	126.8
[M]-	155.03365	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe