CID 6447378

2,4-thiazolidinedione, 5-cyclohexylmethylene-

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]+ 212.073976 147.9
[M+Na]+ 234.055918 153.7
[M-H]- 210.059424 151.2
[M+NH4]+ 229.100523 166.7
[M+K]+ 250.029858 149.6
[M+H-H2O]+ 194.063960 141.9
[M+HCOO]- 256.064901 160.3
[M+CH3COO]- 270.080551 178.8
[M+Na-2H]- 232.041366 145.6
[M]+ 211.06615142 141.9
[M]- 211.06724858 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.