CID 56927741

(z)-2-methylureidoperacrylic acid

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C/C(=C/NC(=O)N)/C(=O)OO
InChI
InChI=1S/C5H8N2O4/c1-3(4(8)11-10)2-7-5(6)9/h2,10H,1H3,(H3,6,7,9)/b3-2-
InChIKey
GHIKATUDZMBUJC-IHWYPQMZSA-N
Compound name
(Z)-3-(carbamoylamino)-2-methylprop-2-eneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

160.0484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.055676 132.1
[M+Na]+ 183.037618 137.7
[M-H]- 159.041124 130.7
[M+NH4]+ 178.082223 150.9
[M+K]+ 199.011558 138.0
[M+H-H2O]+ 143.045660 126.6
[M+HCOO]- 205.046601 154.6
[M+CH3COO]- 219.062251 177.0
[M+Na-2H]- 181.023066 134.6
[M]+ 160.04785142 129.7
[M]- 160.04894858 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.