CID 71587424
Ricinoleamidopropyl ethyldimonium ethosulfate
Structural Information
- Molecular Formula
- C25H51N2O2
- SMILES
- CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC)O
- InChI
- InChI=1S/C25H50N2O2/c1-5-7-8-15-19-24(28)20-16-13-11-9-10-12-14-17-21-25(29)26-22-18-23-27(3,4)6-2/h13,16,24,28H,5-12,14-15,17-23H2,1-4H3/p+1/b16-13-/t24-/m1/s1
- InChIKey
- KAYAUXZFUQHQIO-ODTUPPAISA-O
- Compound name
- ethyl-[3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 412.40233 | 214.0 |
[M+Na]+ | 434.38427 | 242.5 |
[M-H]- | 410.38777 | 227.6 |
[M+NH4]+ | 429.42887 | 233.1 |
[M+K]+ | 450.35821 | 202.6 |
[M+H-H2O]+ | 394.39231 | 208.9 |
[M+HCOO]- | 456.39325 | 243.4 |
[M+CH3COO]- | 470.40890 | 229.4 |
[M+Na-2H]- | 432.36972 | 212.7 |
[M]+ | 411.39450 | 230.4 |
[M]- | 411.39560 | 230.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.