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 164.3
[M+Na]+ 321.00817 167.4
[M-H]- 297.01167 161.4
[M+NH4]+ 316.05277 178.3
[M+K]+ 336.98211 160.1
[M+H-H2O]+ 281.01621 157.4
[M+HCOO]- 343.01715 159.1
[M+CH3COO]- 357.03280 201.9
[M+Na-2H]- 318.99362 159.1
[M]+ 298.01840 164.8
[M]- 298.01950 164.8
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