CID 5356398

N-carbamoylmaleamic acid

Structural Information

Molecular Formula
C5H6N2O4
SMILES
C(=C\C(=O)O)\C(=O)NC(=O)N
InChI
InChI=1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1-
InChIKey
GWGLGTKSTGSWGQ-UPHRSURJSA-N
Compound name
(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

341
Patents

158.03276 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.040036 130.7
[M+Na]+ 181.021978 136.6
[M-H]- 157.025484 129.3
[M+NH4]+ 176.066583 149.5
[M+K]+ 196.995918 136.2
[M+H-H2O]+ 141.030020 125.3
[M+HCOO]- 203.030961 153.4
[M+CH3COO]- 217.046611 176.1
[M+Na-2H]- 179.007426 133.2
[M]+ 158.03221142 127.6
[M]- 158.03330858 127.6
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

patents stripe