CID 3001908

5-cyclohexenylidene-2-thiohydantoin

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CCC(=C2C(=O)NC(=S)N2)CC1
InChI
InChI=1S/C9H12N2OS/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5H2,(H2,10,11,12,13)
InChIKey
DLQOMVLEQPBDLF-UHFFFAOYSA-N
Compound name
5-cyclohexylidene-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 145.3
[M+Na]+ 219.05625 151.4
[M-H]- 195.05975 145.9
[M+NH4]+ 214.10085 162.7
[M+K]+ 235.03019 146.0
[M+H-H2O]+ 179.06429 138.9
[M+HCOO]- 241.06523 155.0
[M+CH3COO]- 255.08088 155.4
[M+Na-2H]- 217.04170 142.7
[M]+ 196.06648 136.1
[M]- 196.06758 136.1
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

No patent data available for this compound.