CID 76868

N-carbamoylmaleimide

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=CC(=O)N(C1=O)C(=O)N
InChI
InChI=1S/C5H4N2O3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H,(H2,6,10)
InChIKey
BNPFHEFZJPVCCE-UHFFFAOYSA-N
Compound name
2,5-dioxopyrrole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

135
Patents

140.02219 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 123.2
[M+Na]+ 163.01141 132.7
[M-H]- 139.01491 125.8
[M+NH4]+ 158.05601 144.8
[M+K]+ 178.98535 131.9
[M+H-H2O]+ 123.01945 117.6
[M+HCOO]- 185.02039 147.7
[M+CH3COO]- 199.03604 172.4
[M+Na-2H]- 160.99686 127.0
[M]+ 140.02164 121.9
[M]- 140.02274 121.9
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