CID 11600725

S-(acetylsulfanylmethyl) ethanethioate

Structural Information

Molecular Formula
C5H8O2S2
SMILES
CC(=O)SCSC(=O)C
InChI
InChI=1S/C5H8O2S2/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3
InChIKey
VKHBHEJHXRMVGJ-UHFFFAOYSA-N
Compound name
S-(acetylsulfanylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

163.99657 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.00385 131.0
[M+Na]+ 186.98579 138.3
[M-H]- 162.98929 131.4
[M+NH4]+ 182.03039 152.1
[M+K]+ 202.95973 136.2
[M+H-H2O]+ 146.99383 126.0
[M+HCOO]- 208.99477 142.3
[M+CH3COO]- 223.01042 175.6
[M+Na-2H]- 184.97124 130.3
[M]+ 163.99602 134.6
[M]- 163.99712 134.6
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