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 147.9
[M+Na]+ 234.05592 153.7
[M-H]- 210.05942 151.2
[M+NH4]+ 229.10052 166.7
[M+K]+ 250.02986 149.6
[M+H-H2O]+ 194.06396 141.9
[M+HCOO]- 256.06490 160.3
[M+CH3COO]- 270.08055 178.8
[M+Na-2H]- 232.04137 145.6
[M]+ 211.06615 141.9
[M]- 211.06725 141.9
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.