CID 474290

S-[4-(thiiran-2-yl)butyl] ethanethioate

Structural Information

Molecular Formula
C8H14OS2
SMILES
CC(=O)SCCCCC1CS1
InChI
InChI=1S/C8H14OS2/c1-7(9)10-5-3-2-4-8-6-11-8/h8H,2-6H2,1H3
InChIKey
VXNLRSBZERSYFT-UHFFFAOYSA-N
Compound name
S-[4-(thiiran-2-yl)butyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04861 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05589 133.1
[M+Na]+ 213.03783 140.8
[M-H]- 189.04133 137.0
[M+NH4]+ 208.08243 148.5
[M+K]+ 229.01177 137.2
[M+H-H2O]+ 173.04587 126.4
[M+HCOO]- 235.04681 145.1
[M+CH3COO]- 249.06246 185.0
[M+Na-2H]- 211.02328 133.3
[M]+ 190.04806 138.7
[M]- 190.04916 138.7
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.