CID 106257

67969-80-6

Structural Information

Molecular Formula
C7H12O3S2
SMILES
CCOC(=O)SC(=S)OC(C)C
InChI
InChI=1S/C7H12O3S2/c1-4-9-6(8)12-7(11)10-5(2)3/h5H,4H2,1-3H3
InChIKey
PMSBCOOHHFLFFZ-UHFFFAOYSA-N
Compound name
ethyl propan-2-yloxycarbothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.02278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03006 146.1
[M+Na]+ 231.01200 153.5
[M+NH4]+ 226.05660 153.1
[M+K]+ 246.98594 146.4
[M-H]- 207.01550 144.4
[M+Na-2H]- 228.99745 146.3
[M]+ 208.02223 147.3
[M]- 208.02333 147.3
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

No patent data available for this compound.