CID 9576707

Einecs 275-072-1

Structural Information

Molecular Formula
C18H32O8S2Sn
SMILES
COC(=O)CCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCC(=O)OC
InChI
InChI=1S/2C8H14O4S.2CH3.Sn/c2*1-11-7(9)3-2-4-8(10)12-5-6-13;;;/h2*13H,2-6H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
BXNCNGLIHKPIIC-UHFFFAOYSA-L
Compound name
5-O-[2-[2-(5-methoxy-5-oxopentanoyl)oxyethylsulfanyl-dimethylstannyl]sulfanylethyl] 1-O-methyl pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.0561 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.06338 243.3
[M+Na]+ 583.04532 247.5
[M-H]- 559.04882 236.3
[M+NH4]+ 578.08992 252.0
[M+K]+ 599.01926 223.8
[M+H-H2O]+ 543.05336 218.5
[M+HCOO]- 605.05430 250.1
[M+CH3COO]- 619.06995 230.3
[M+Na-2H]- 581.03077 220.1
[M]+ 560.05555 246.2
[M]- 560.05665 246.2
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.