CID 10290858

Malonuric acid

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

3
Annotation Hits: 0
References: 40
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]+	147.040036	127.2
[M+Na]+	169.021978	133.2
[M-H]-	145.025484	126.0
[M+NH4]+	164.066583	146.5
[M+K]+	184.995918	133.7
[M+H-H2O]+	129.030020	121.9
[M+HCOO]-	191.030961	150.0
[M+CH3COO]-	205.046611	174.6
[M+Na-2H]-	167.007426	130.3
[M]+	146.03221142	124.6
[M]-	146.03330858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe