CID 104506

Einecs 258-571-9

Structural Information

Molecular Formula
C16H26O6S4
SMILES
CCC1(COCOC1)COC(=S)SSC(=S)OCC2(COCOC2)CC
InChI
InChI=1S/C16H26O6S4/c1-3-15(5-17-11-18-6-15)9-21-13(23)25-26-14(24)22-10-16(4-2)7-19-12-20-8-16/h3-12H2,1-2H3
InChIKey
CIGCHYLTWDTUCB-UHFFFAOYSA-N
Compound name
O-[(5-ethyl-1,3-dioxan-5-yl)methyl] [(5-ethyl-1,3-dioxan-5-yl)methoxycarbothioyldisulfanyl]methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

442.06122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.06850 194.4
[M+Na]+ 465.05044 194.6
[M-H]- 441.05394 197.2
[M+NH4]+ 460.09504 201.4
[M+K]+ 481.02438 193.3
[M+H-H2O]+ 425.05848 190.0
[M+HCOO]- 487.05942 186.6
[M+CH3COO]- 501.07507 217.7
[M+Na-2H]- 463.03589 198.5
[M]+ 442.06067 193.6
[M]- 442.06177 193.6
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