CID 123196

1-methylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C4H4N2O3
SMILES
CN1C(=O)C(=O)NC1=O
InChI
InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
InChIKey
MJJCZWPYKMGQHU-UHFFFAOYSA-N
Compound name
1-methylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

128.02219 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 120.6
[M+Na]+ 151.01141 131.0
[M-H]- 127.01491 120.9
[M+NH4]+ 146.05601 141.4
[M+K]+ 166.98535 129.7
[M+H-H2O]+ 111.01945 115.1
[M+HCOO]- 173.02039 141.6
[M+CH3COO]- 187.03604 166.8
[M+Na-2H]- 148.99686 124.5
[M]+ 128.02164 119.0
[M]- 128.02274 119.0
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