CID 439716

2-oxosuccinamate

Structural Information

Molecular Formula

SMILES

C(C(=O)C(=O)O)C(=O)N

InChI

InChI=1S/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)

InChIKey

ONGPAWNLFDCRJE-UHFFFAOYSA-N

Compound name

4-amino-2,4-dioxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 92
Patents: 131.02185 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]+	132.02913	124.5
[M+Na]+	154.01107	131.5
[M+NH4]+	149.05567	129.6
[M+K]+	169.98501	130.2
[M-H]-	130.01457	121.1
[M+Na-2H]-	151.99652	125.3
[M]+	131.02130	123.8
[M]-	131.02240	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe