CID 456

Oxaluric acid

Structural Information

Molecular Formula

C₃H₄N₂O₄

SMILES

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

InChI

InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)

InChIKey

UWBHMRBRLOJJAA-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 2149
Patents: 132.0171 Da
Monoisotopic Mass: -0.7
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]+	133.02438	122.9
[M+Na]+	155.00632	129.4
[M-H]-	131.00982	121.9
[M+NH4]+	150.05092	142.8
[M+K]+	170.98026	130.1
[M+H-H2O]+	115.01436	117.8
[M+HCOO]-	177.01530	146.1
[M+CH3COO]-	191.03095	170.9
[M+Na-2H]-	152.99177	126.4
[M]+	132.01655	119.8
[M]-	132.01765	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe