CID 3019707

2-((trimethylstannyl)thio)ethyl stearate

Structural Information

Molecular Formula
C23H48O2SSn
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(C)C
InChI
InChI=1S/C20H40O2S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;;/h23H,2-19H2,1H3;3*1H3;/q;;;;+1/p-1
InChIKey
MAWNXWUAUSLJAI-UHFFFAOYSA-M
Compound name
2-trimethylstannylsulfanylethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.23972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.24700 230.8
[M+Na]+ 531.22894 229.9
[M-H]- 507.23244 227.1
[M+NH4]+ 526.27354 241.5
[M+K]+ 547.20288 224.6
[M+H-H2O]+ 491.23698 222.0
[M+HCOO]- 553.23792 240.3
[M+CH3COO]- 567.25357 232.0
[M+Na-2H]- 529.21439 223.0
[M]+ 508.23917 241.9
[M]- 508.24027 241.9
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.