CID 131801685
Mg(0:0/24:6(6z,9z,12z,15z,18z,21z)/0:0)
Structural Information
- Molecular Formula
- C28H44O4
- SMILES
- CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO
- InChI
- InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-27(25-29)26-30/h4-5,7-8,10-11,13-14,16-17,19-20,27,29-30H,2-3,6,9,12,15,18,21-26H2,1H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
- InChIKey
- AVASJSIRAIRDIT-JDPCYWKWSA-N
- Compound name
- 1,3-dihydroxypropan-2-yl (6Z,9Z,12Z,15Z,18Z,21Z)-pentacosa-6,9,12,15,18,21-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 445.33125 | 220.5 |
[M+Na]+ | 467.31319 | 222.6 |
[M-H]- | 443.31669 | 205.1 |
[M+NH4]+ | 462.35779 | 213.9 |
[M+K]+ | 483.28713 | 210.8 |
[M+H-H2O]+ | 427.32123 | 212.7 |
[M+HCOO]- | 489.32217 | 224.5 |
[M+CH3COO]- | 503.33782 | 226.9 |
[M+Na-2H]- | 465.29864 | 212.9 |
[M]+ | 444.32342 | 212.3 |
[M]- | 444.32452 | 212.3 |
Literature stripe
Patent stripe
No patent data available for this compound.