CID 6437403
Triethanolamine dioleate
Structural Information
- Molecular Formula
- C42H79NO5
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\CCCCCCCC)CCO
- InChI
- InChI=1S/C42H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-
- InChIKey
- LKJAFAGFOFGLLS-CLFAGFIQSA-N
- Compound name
- 2-[2-hydroxyethyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 678.60308 | 281.7 |
[M+Na]+ | 700.58502 | 288.4 |
[M-H]- | 676.58852 | 269.5 |
[M+NH4]+ | 695.62962 | 285.5 |
[M+K]+ | 716.55896 | 290.4 |
[M+H-H2O]+ | 660.59306 | 281.3 |
[M+HCOO]- | 722.59400 | 282.4 |
[M+CH3COO]- | 736.60965 | 282.4 |
[M+Na-2H]- | 698.57047 | 263.7 |
[M]+ | 677.59525 | 279.6 |
[M]- | 677.59635 | 279.6 |
Literature stripe
No literature data available for this compound.