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]+ 178.035486 136.4
[M+Na]+ 200.017428 143.8
[M-H]- 176.020934 138.4
[M+NH4]+ 195.062033 157.7
[M+K]+ 215.991368 141.7
[M+H-H2O]+ 160.025470 130.9
[M+HCOO]- 222.026411 147.0
[M+CH3COO]- 236.042061 176.0
[M+Na-2H]- 198.002876 134.7
[M]+ 177.02766142 137.0
[M]- 177.02875858 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.