CID 131779284
Tg(8:0/18:0/19:0)
Structural Information
- Molecular Formula
- C48H92O6
- SMILES
- CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C48H92O6/c1-4-7-10-13-15-17-19-21-23-25-26-28-30-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-12-9-6-3)54-48(51)42-39-36-33-31-29-27-24-22-20-18-16-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m0/s1
- InChIKey
- JQGUTIYNUAOFDR-GWHBCOKCSA-N
- Compound name
- [(2S)-2-octadecanoyloxy-3-octanoyloxypropyl] nonadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 765.69668 | 301.8 |
[M+Na]+ | 787.67862 | 301.0 |
[M+NH4]+ | 782.72322 | 304.2 |
[M+K]+ | 803.65256 | 303.6 |
[M-H]- | 763.68212 | 285.2 |
[M+Na-2H]- | 785.66407 | 297.3 |
[M]+ | 764.68885 | 298.0 |
[M]- | 764.68995 | 298.0 |
Literature stripe
Patent stripe
No patent data available for this compound.