CID 129628080
Hydroxycapryloyl phytosphingosine
Structural Information
- Molecular Formula
- C26H53NO5
- SMILES
- CCCCCCCCCCCCCC[C@H]([C@H]([C@H](C(C(=O)CCCCCCCO)O)N)O)O
- InChI
- InChI=1S/C26H53NO5/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22(29)25(31)24(27)26(32)23(30)20-17-14-12-15-18-21-28/h22,24-26,28-29,31-32H,2-21,27H2,1H3/t22-,24-,25-,26?/m1/s1
- InChIKey
- YAUUWZLHTSKYOT-HLGCDXFVSA-N
- Compound name
- (10R,11S,12R)-10-amino-1,9,11,12-tetrahydroxyhexacosan-8-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 460.39964 | 223.4 |
[M+Na]+ | 482.38158 | 227.5 |
[M-H]- | 458.38508 | 215.4 |
[M+NH4]+ | 477.42618 | 219.3 |
[M+K]+ | 498.35552 | 225.6 |
[M+H-H2O]+ | 442.38962 | 220.4 |
[M+HCOO]- | 504.39056 | 215.3 |
[M+CH3COO]- | 518.40621 | 234.4 |
[M+Na-2H]- | 480.36703 | 209.0 |
[M]+ | 459.39181 | 216.2 |
[M]- | 459.39291 | 216.2 |