CID 9576706

70969-67-4

Structural Information

Molecular Formula
C20H36O8S2Sn
SMILES
COC(=O)CCCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCCC(=O)OC
InChI
InChI=1S/2C9H16O4S.2CH3.Sn/c2*1-12-8(10)4-2-3-5-9(11)13-6-7-14;;;/h2*14H,2-7H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
VFUJGHLMYDNMNC-UHFFFAOYSA-L
Compound name
6-O-[2-[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl-dimethylstannyl]sulfanylethyl] 1-O-methyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.08734 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.09462 236.9
[M+Na]+ 611.07656 243.2
[M+NH4]+ 606.12116 242.7
[M+K]+ 627.05050 236.8
[M-H]- 587.08006 230.6
[M+Na-2H]- 609.06201 223.5
[M]+ 588.08679 236.8
[M]- 588.08789 236.8
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

No patent data available for this compound.