CID 474256

S-[2-(thiiran-2-yl)ethyl] ethanethioate

Structural Information

Molecular Formula
C6H10OS2
SMILES
CC(=O)SCCC1CS1
InChI
InChI=1S/C6H10OS2/c1-5(7)8-3-2-6-4-9-6/h6H,2-4H2,1H3
InChIKey
LBWHQVMHPSTBET-UHFFFAOYSA-N
Compound name
S-[2-(thiiran-2-yl)ethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0173 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02458 125.3
[M+Na]+ 185.00652 133.8
[M-H]- 161.01002 129.6
[M+NH4]+ 180.05112 141.7
[M+K]+ 200.98046 130.7
[M+H-H2O]+ 145.01456 119.0
[M+HCOO]- 207.01550 137.8
[M+CH3COO]- 221.03115 179.4
[M+Na-2H]- 182.99197 126.3
[M]+ 162.01675 130.2
[M]- 162.01785 130.2
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.