CID 6447344

5-hexahydrobenzylidenerhodanine

Structural Information

Molecular Formula
C10H13NOS2
SMILES
C1CCC(CC1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C10H13NOS2/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
PGPHWBVUHGCFRZ-SOFGYWHQSA-N
Compound name
(5E)-5-(cyclohexylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.04385 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05113 150.0
[M+Na]+ 250.03307 158.5
[M+NH4]+ 245.07767 158.6
[M+K]+ 266.00701 150.2
[M-H]- 226.03657 152.1
[M+Na-2H]- 248.01852 152.3
[M]+ 227.04330 152.4
[M]- 227.04440 152.4
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

patents stripe