CID 9576706

Einecs 275-071-6

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 250.8
[M+Na]+ 611.07656 254.6
[M-H]- 587.08006 243.0
[M+NH4]+ 606.12116 259.4
[M+K]+ 627.05050 253.5
[M+H-H2O]+ 571.08460 251.6
[M+HCOO]- 633.08554 256.7
[M+CH3COO]- 647.10119 235.8
[M+Na-2H]- 609.06201 236.6
[M]+ 588.08679 253.4
[M]- 588.08789 253.4
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.