CID 6447378

5-cyclohexylmethylenethiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CCC(CC1)/C=C/2\C(=O)NC(=O)S2
InChI
InChI=1S/C10H13NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12,13)/b8-6+
InChIKey
OPEPAWMKWNADQN-SOFGYWHQSA-N
Compound name
(5E)-5-(cyclohexylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 148.6
[M+Na]+ 234.05592 157.2
[M+NH4]+ 229.10052 156.4
[M+K]+ 250.02986 151.3
[M-H]- 210.05942 150.0
[M+Na-2H]- 232.04137 151.2
[M]+ 211.06615 150.2
[M]- 211.06725 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.