CID 169087

29803-48-3

Structural Information

Molecular Formula
C10H18O2S4
SMILES
CC(C)SC(=S)OCCOC(=S)SC(C)C
InChI
InChI=1S/C10H18O2S4/c1-7(2)15-9(13)11-5-6-12-10(14)16-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
OHPQQWPINFWARP-UHFFFAOYSA-N
Compound name
O-(2-propan-2-ylsulfanylcarbothioyloxyethyl) propan-2-ylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.01895 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02623 161.6
[M+Na]+ 321.00817 166.4
[M+NH4]+ 316.05277 168.3
[M+K]+ 336.98211 156.8
[M-H]- 297.01167 160.3
[M+Na-2H]- 318.99362 159.5
[M]+ 298.01840 163.3
[M]- 298.01950 163.3
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