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 150.2
[M+Na]+ 250.03307 156.6
[M-H]- 226.03657 153.2
[M+NH4]+ 245.07767 168.8
[M+K]+ 266.00701 150.8
[M+H-H2O]+ 210.04111 144.9
[M+HCOO]- 272.04205 157.1
[M+CH3COO]- 286.05770 160.6
[M+Na-2H]- 248.01852 146.1
[M]+ 227.04330 144.1
[M]- 227.04440 144.1
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