CID 88550

Ethyl bis(ethylthio)acetate

Structural Information

Molecular Formula
C8H16O2S2
SMILES
CCOC(=O)C(SCC)SCC
InChI
InChI=1S/C8H16O2S2/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
InChIKey
DGQHHBMWVOYSHU-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(ethylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.05917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06645 144.6
[M+Na]+ 231.04839 150.3
[M-H]- 207.05189 144.4
[M+NH4]+ 226.09299 164.0
[M+K]+ 247.02233 148.1
[M+H-H2O]+ 191.05643 139.0
[M+HCOO]- 253.05737 154.8
[M+CH3COO]- 267.07302 185.9
[M+Na-2H]- 229.03384 142.6
[M]+ 208.05862 150.1
[M]- 208.05972 150.1
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.