CID 131777123
Tg(i-24:0/16:0/i-18:0)
Structural Information
- Molecular Formula
- C61H118O6
- SMILES
- CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-19-28-33-38-43-48-53-61(64)67-58(55-66-60(63)52-47-42-37-32-27-23-22-25-30-35-40-45-50-57(4)5)54-65-59(62)51-46-41-36-31-26-21-18-16-14-13-15-17-20-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m0/s1
- InChIKey
- OHWWAYVWHBHEMZ-XKJQNMSGSA-N
- Compound name
- [(2S)-2-hexadecanoyloxy-3-(16-methylheptadecanoyloxy)propyl] 22-methyltricosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 947.90008 | 335.1 |
[M+Na]+ | 969.88202 | 338.3 |
[M-H]- | 945.88552 | 318.3 |
[M+NH4]+ | 964.92662 | 345.2 |
[M+K]+ | 985.85596 | 350.9 |
[M+H-H2O]+ | 929.89006 | 336.1 |
[M+HCOO]- | 991.89100 | 323.1 |
[M+CH3COO]- | 1005.9067 | 329.2 |
[M+Na-2H]- | 967.86747 | 312.1 |
[M]+ | 946.89225 | 338.5 |
[M]- | 946.89335 | 338.5 |
Literature stripe
Patent stripe
No patent data available for this compound.