CID 10290858

3-oxo-3-ureidopropanoate

Structural Information

Molecular Formula

C₄H₆N₂O₄

SMILES

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

InChI

InChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)

InChIKey

UCUUMUFWVSUBOL-UHFFFAOYSA-N

Compound name

3-(carbamoylamino)-3-oxopropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 146.03276 Da
Monoisotopic Mass: -1.0
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]+	147.04004	128.7
[M+Na]+	169.02198	134.4
[M+NH4]+	164.06658	133.2
[M+K]+	184.99592	133.5
[M-H]-	145.02548	125.5
[M+Na-2H]-	167.00743	129.1
[M]+	146.03221	127.7
[M]-	146.03331	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe