CID 104506

53461-86-2

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 184.9
[M+Na]+ 465.05044 189.4
[M+NH4]+ 460.09504 192.8
[M+K]+ 481.02438 178.0
[M-H]- 441.05394 189.9
[M+Na-2H]- 463.03589 187.1
[M]+ 442.06067 188.8
[M]- 442.06177 188.8
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