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

1
Patents

148.00166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00894 121.3
[M+Na]+ 170.99088 130.3
[M-H]- 146.99438 125.8
[M+NH4]+ 166.03548 138.3
[M+K]+ 186.96482 127.4
[M+H-H2O]+ 130.99892 115.2
[M+HCOO]- 192.99986 134.2
[M+CH3COO]- 207.01551 176.6
[M+Na-2H]- 168.97633 122.8
[M]+ 148.00111 125.9
[M]- 148.00221 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