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: 33
Patents: 215.04385 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.05113	146.0
[M+Na]+	238.03307	155.1
[M+NH4]+	233.07767	155.4
[M+K]+	254.00701	146.9
[M-H]-	214.03657	148.9
[M+Na-2H]-	236.01852	149.1
[M]+	215.04330	148.8
[M]-	215.04440	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe