CID 100967
2-mercaptoethyl stearate
Structural Information
- Molecular Formula
- C20H40O2S
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCCS
- InChI
- InChI=1S/C20H40O2S/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
- InChIKey
- FPRWILGFWFTOHA-UHFFFAOYSA-N
- Compound name
- 2-sulfanylethyl octadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 345.28218 | 192.2 |
[M+Na]+ | 367.26412 | 193.5 |
[M-H]- | 343.26762 | 189.9 |
[M+NH4]+ | 362.30872 | 206.2 |
[M+K]+ | 383.23806 | 189.3 |
[M+H-H2O]+ | 327.27216 | 184.6 |
[M+HCOO]- | 389.27310 | 205.6 |
[M+CH3COO]- | 403.28875 | 215.9 |
[M+Na-2H]- | 365.24957 | 187.6 |
[M]+ | 344.27435 | 202.2 |
[M]- | 344.27545 | 202.2 |
Literature stripe
No literature data available for this compound.