CID 238966

2-thiazolidinethione, 3-isopropyl-

Structural Information

Molecular Formula

C₆H₁₁NS₂

SMILES

CC(C)N1CCSC1=S

InChI

InChI=1S/C6H11NS2/c1-5(2)7-3-4-9-6(7)8/h5H,3-4H2,1-2H3

InChIKey

VHIUJZKOEFEDAF-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1,3-thiazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 15
Patents: 161.0333 Da
Monoisotopic Mass: 1.8
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]+	162.04058	131.7
[M+Na]+	184.02252	140.0
[M-H]-	160.02602	134.1
[M+NH4]+	179.06712	154.0
[M+K]+	199.99646	137.4
[M+H-H2O]+	144.03056	126.7
[M+HCOO]-	206.03150	141.9
[M+CH3COO]-	220.04715	175.9
[M+Na-2H]-	182.00797	129.3
[M]+	161.03275	131.4
[M]-	161.03385	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe