CID 131799435
Dg(21:0/0:0/12:0)
Structural Information
- Molecular Formula
- C36H70O5
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)O
- InChI
- InChI=1S/C36H70O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1
- InChIKey
- VEMKJVCHKYHEHA-UMSFTDKQSA-N
- Compound name
- [(2S)-3-dodecanoyloxy-2-hydroxypropyl] henicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 583.52962 | 256.7 |
[M+Na]+ | 605.51156 | 261.2 |
[M-H]- | 581.51506 | 242.4 |
[M+NH4]+ | 600.55616 | 258.6 |
[M+K]+ | 621.48550 | 262.7 |
[M+H-H2O]+ | 565.51960 | 256.8 |
[M+HCOO]- | 627.52054 | 258.4 |
[M+CH3COO]- | 641.53619 | 261.1 |
[M+Na-2H]- | 603.49701 | 240.2 |
[M]+ | 582.52179 | 256.2 |
[M]- | 582.52289 | 256.2 |
Literature stripe
Patent stripe
No patent data available for this compound.