CID 12435815

1-cyclohexylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1CCC(CC1)N2C(=O)C(=O)NC2=O
InChI
InChI=1S/C9H12N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12,14)
InChIKey
GTRAYSWZNRCJMV-UHFFFAOYSA-N
Compound name
1-cyclohexylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

196.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 142.6
[M+Na]+ 219.074018 149.1
[M-H]- 195.077524 144.8
[M+NH4]+ 214.118623 160.0
[M+K]+ 235.047958 146.4
[M+H-H2O]+ 179.082060 135.4
[M+HCOO]- 241.083001 159.2
[M+CH3COO]- 255.098651 178.7
[M+Na-2H]- 217.059466 143.1
[M]+ 196.08425142 136.0
[M]- 196.08534858 136.0
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