CID 219607

O-ethyl s-(2-(methylthio)ethyl) dithiocarbonate

Structural Information

Molecular Formula
C6H12OS3
SMILES
CCOC(=S)SCCSC
InChI
InChI=1S/C6H12OS3/c1-3-7-6(8)10-5-4-9-2/h3-5H2,1-2H3
InChIKey
GSFBNXHEKQIGMJ-UHFFFAOYSA-N
Compound name
O-ethyl 2-methylsulfanylethylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01232 137.7
[M+Na]+ 218.99426 144.3
[M-H]- 194.99776 137.0
[M+NH4]+ 214.03886 157.1
[M+K]+ 234.96820 139.5
[M+H-H2O]+ 179.00230 132.0
[M+HCOO]- 241.00324 142.9
[M+CH3COO]- 255.01889 182.7
[M+Na-2H]- 216.97971 135.9
[M]+ 196.00449 140.4
[M]- 196.00559 140.4
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.