CID 127015662

1851681-31-6

Structural Information

Molecular Formula

C₆H₁₁NOS₂

SMILES

CSCC(=O)N1CCSC1

InChI

InChI=1S/C6H11NOS2/c1-9-4-6(8)7-2-3-10-5-7/h2-5H2,1H3

InChIKey

XVDIBKULEHMFEG-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.02821 Da
Monoisotopic Mass: 0.9
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]+	178.03549	137.3
[M+Na]+	200.01743	145.6
[M+NH4]+	195.06203	146.2
[M+K]+	215.99137	138.4
[M-H]-	176.02093	138.1
[M+Na-2H]-	198.00288	139.5
[M]+	177.02766	139.4
[M]-	177.02876	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.