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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03549 136.4
[M+Na]+ 200.01743 143.8
[M-H]- 176.02093 138.4
[M+NH4]+ 195.06203 157.7
[M+K]+ 215.99137 141.7
[M+H-H2O]+ 160.02547 130.9
[M+HCOO]- 222.02641 147.0
[M+CH3COO]- 236.04206 176.0
[M+Na-2H]- 198.00288 134.7
[M]+ 177.02766 137.0
[M]- 177.02876 137.0
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

No patent data available for this compound.