CID 95740

6322-59-4

Structural Information

Molecular Formula
C9H13NOS2
SMILES
C1CCC(CC1)N2C(=O)CSC2=S
InChI
InChI=1S/C9H13NOS2/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
BXVOWLRQAIOPFZ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

215.04385 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05113 146.1
[M+Na]+ 238.03307 153.0
[M-H]- 214.03657 150.7
[M+NH4]+ 233.07767 165.9
[M+K]+ 254.00701 149.1
[M+H-H2O]+ 198.04111 140.6
[M+HCOO]- 260.04205 154.6
[M+CH3COO]- 274.05770 157.5
[M+Na-2H]- 236.01852 142.8
[M]+ 215.04330 142.3
[M]- 215.04440 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe