CID 4448031

Dithiocarbonic acid s-tert-butyl ester o-ethyl ester

Structural Information

Molecular Formula
C7H14OS2
SMILES
CCOC(=S)SC(C)(C)C
InChI
InChI=1S/C7H14OS2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3
InChIKey
JXKVUPGRPRPKIO-UHFFFAOYSA-N
Compound name
O-ethyl tert-butylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

178.04861 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05589 142.3
[M+Na]+ 201.03783 151.1
[M+NH4]+ 196.08243 150.8
[M+K]+ 217.01177 142.5
[M-H]- 177.04133 141.7
[M+Na-2H]- 199.02328 143.8
[M]+ 178.04806 144.3
[M]- 178.04916 144.3
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