CID 46173244

Ureidoperacrylic acid

Structural Information

Molecular Formula

C₄H₆N₂O₄

SMILES

C(=C\NC(=O)N)\C(=O)OO

InChI

InChI=1S/C4H6N2O4/c5-4(8)6-2-1-3(7)10-9/h1-2,9H,(H3,5,6,8)/b2-1-

InChIKey

AJFKXWQDHFYKFK-UPHRSURJSA-N

Compound name

(Z)-3-(carbamoylamino)prop-2-eneperoxoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
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	126.8
[M+Na]+	169.02198	133.1
[M-H]-	145.02548	125.5
[M+NH4]+	164.06658	146.3
[M+K]+	184.99592	133.1
[M+H-H2O]+	129.03002	121.5
[M+HCOO]-	191.03096	150.7
[M+CH3COO]-	205.04661	173.0
[M+Na-2H]-	167.00743	131.2
[M]+	146.03221	124.8
[M]-	146.03331	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe