CID 32981

Thioacetic acid s-2,3-epithiopropyl ester

Structural Information

Molecular Formula
C5H8OS2
SMILES
CC(=O)SCC1CS1
InChI
InChI=1S/C5H8OS2/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3
InChIKey
RYXXPKBZMAJJFI-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.00166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.008936 121.3
[M+Na]+ 170.990878 130.3
[M-H]- 146.994384 125.8
[M+NH4]+ 166.035483 138.3
[M+K]+ 186.964818 127.4
[M+H-H2O]+ 130.998920 115.2
[M+HCOO]- 192.999861 134.2
[M+CH3COO]- 207.015511 176.6
[M+Na-2H]- 168.976326 122.8
[M]+ 148.00111142 125.9
[M]- 148.00220858 125.9
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

patents stripe