CID 3301639

1-ethylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CCN1C(=O)C(=O)NC1=O
InChI
InChI=1S/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
InChIKey
VIGJKMRHILAFFC-UHFFFAOYSA-N
Compound name
1-ethylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

59
Patents

142.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.1
[M+Na]+ 165.027058 135.2
[M-H]- 141.030564 125.3
[M+NH4]+ 160.071663 145.4
[M+K]+ 181.000998 133.5
[M+H-H2O]+ 125.035100 119.5
[M+HCOO]- 187.036041 145.9
[M+CH3COO]- 201.051691 169.8
[M+Na-2H]- 163.012506 128.5
[M]+ 142.03729142 123.9
[M]- 142.03838858 123.9
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