CID 9577348

42378-34-7

Structural Information

Molecular Formula
C24H48O4S2Sn
SMILES
CC(C)CCCCCOC(=O)CCS[Sn](C)(C)SCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C11H22O2S.2CH3.Sn/c2*1-10(2)6-4-3-5-8-13-11(12)7-9-14;;;/h2*10,14H,3-9H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKey
KORGTBPVXBSXAP-UHFFFAOYSA-L
Compound name
6-methylheptyl 3-[dimethyl-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

584.2016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.20888 242.1
[M+Na]+ 607.19082 239.2
[M-H]- 583.19432 245.0
[M+NH4]+ 602.23542 263.3
[M+K]+ 623.16476 234.2
[M+H-H2O]+ 567.19886 232.9
[M+HCOO]- 629.19980 261.0
[M+CH3COO]- 643.21545 242.4
[M+Na-2H]- 605.17627 230.7
[M]+ 584.20105 260.8
[M]- 584.20215 260.8
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