CID 474261

S-[1-(thiiran-2-yl)ethyl] ethanethioate

Structural Information

Molecular Formula
C6H10OS2
SMILES
CC(C1CS1)SC(=O)C
InChI
InChI=1S/C6H10OS2/c1-4(6-3-8-6)9-5(2)7/h4,6H,3H2,1-2H3
InChIKey
XNZWDNYQLCTBDE-UHFFFAOYSA-N
Compound name
S-[1-(thiiran-2-yl)ethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0173 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02458 124.7
[M+Na]+ 185.00652 132.9
[M-H]- 161.01002 129.1
[M+NH4]+ 180.05112 141.1
[M+K]+ 200.98046 130.2
[M+H-H2O]+ 145.01456 118.5
[M+HCOO]- 207.01550 136.3
[M+CH3COO]- 221.03115 180.1
[M+Na-2H]- 182.99197 124.9
[M]+ 162.01675 129.1
[M]- 162.01785 129.1
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.