CID 131802640
Dg(20:0/8:0/0:0)
Structural Information
- Molecular Formula
- C31H60O5
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
- InChI
- InChI=1S/C31H60O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-23-25-30(33)35-28-29(27-32)36-31(34)26-24-21-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
- InChIKey
- KROOFOIWVUCCSW-LJAQVGFWSA-N
- Compound name
- [(2S)-3-hydroxy-2-octanoyloxypropyl] icosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 513.45138 | 239.2 |
[M+Na]+ | 535.43332 | 244.6 |
[M-H]- | 511.43682 | 226.9 |
[M+NH4]+ | 530.47792 | 241.3 |
[M+K]+ | 551.40726 | 244.1 |
[M+H-H2O]+ | 495.44136 | 239.9 |
[M+HCOO]- | 557.44230 | 242.9 |
[M+CH3COO]- | 571.45795 | 247.2 |
[M+Na-2H]- | 533.41877 | 224.9 |
[M]+ | 512.44355 | 239.0 |
[M]- | 512.44465 | 239.0 |
Literature stripe
Patent stripe
No patent data available for this compound.