CID 131799836
Dg(i-17:0/0:0/i-15:0)
Structural Information
- Molecular Formula
- C35H68O5
- SMILES
- CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)O
- InChI
- InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1
- InChIKey
- MTWDRNJTEJZNSG-MGBGTMOVSA-N
- Compound name
- [(2R)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 15-methylhexadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 569.51393 | 251.9 |
[M+Na]+ | 591.49587 | 257.6 |
[M-H]- | 567.49937 | 241.1 |
[M+NH4]+ | 586.54047 | 257.0 |
[M+K]+ | 607.46981 | 259.8 |
[M+H-H2O]+ | 551.50391 | 253.3 |
[M+HCOO]- | 613.50485 | 249.3 |
[M+CH3COO]- | 627.52050 | 259.8 |
[M+Na-2H]- | 589.48132 | 237.2 |
[M]+ | 568.50610 | 251.7 |
[M]- | 568.50720 | 251.7 |
Literature stripe
Patent stripe
No patent data available for this compound.