CID 56936516
Tg(48:3)
Structural Information
- Molecular Formula
- C51H92O6
- SMILES
- CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC
- InChI
- InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-32-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-20-17-14-11-8-5-2/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-/t48-/m1/s1
- InChIKey
- MXVGMMSYPKQPGC-VGWLKTBOSA-N
- Compound name
- [(2R)-2,3-di(tridecanoyloxy)propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 801.69668 | 300.6 |
[M+Na]+ | 823.67862 | 306.1 |
[M-H]- | 799.68212 | 286.8 |
[M+NH4]+ | 818.72322 | 308.4 |
[M+K]+ | 839.65256 | 312.3 |
[M+H-H2O]+ | 783.68666 | 301.4 |
[M+HCOO]- | 845.68760 | 299.5 |
[M+CH3COO]- | 859.70325 | 300.8 |
[M+Na-2H]- | 821.66407 | 281.2 |
[M]+ | 800.68885 | 301.6 |
[M]- | 800.68995 | 301.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.