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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.