CID 131770548
Tg(a-25:0/19:0/20:0)[rac]
Structural Information
- Molecular Formula
- C67H130O6
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C67H130O6/c1-5-8-10-12-14-16-18-20-22-26-31-34-38-42-46-50-54-58-65(68)71-61-64(73-67(70)60-56-52-48-44-40-36-30-23-21-19-17-15-13-11-9-6-2)62-72-66(69)59-55-51-47-43-39-35-32-28-25-24-27-29-33-37-41-45-49-53-57-63(4)7-3/h63-64H,5-62H2,1-4H3/t63?,64-/m0/s1
- InChIKey
- WYBQEZCZXZZNMC-DKTRMEIRSA-N
- Compound name
- [(2S)-3-icosanoyloxy-2-nonadecanoyloxypropyl] 22-methyltetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1031.9940 | 352.7 |
[M+Na]+ | 1053.9759 | 354.5 |
[M-H]- | 1029.9794 | 332.2 |
[M+NH4]+ | 1049.0205 | 361.3 |
[M+K]+ | 1069.9499 | 369.0 |
[M+H-H2O]+ | 1013.9840 | 352.7 |
[M+HCOO]- | 1075.9849 | 341.2 |
[M+CH3COO]- | 1090.0006 | 342.5 |
[M+Na-2H]- | 1051.9614 | 327.1 |
[M]+ | 1030.9862 | 356.7 |
[M]- | 1030.9872 | 356.7 |
Literature stripe
Patent stripe
No patent data available for this compound.