CID 145864748
Chebi:145782
Structural Information
- Molecular Formula
- C13H27NO8P
- SMILES
- C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)OC(=O)CCCC=O
- InChI
- InChI=1S/C13H26NO8P/c1-14(2,3)7-9-20-23(18,19)21-11-12(10-16)22-13(17)6-4-5-8-15/h8,12,16H,4-7,9-11H2,1-3H3/p+1/t12-/m1/s1
- InChIKey
- XSDCTKAQCWOPEH-GFCCVEGCSA-O
- Compound name
- 2-[hydroxy-[(2R)-3-hydroxy-2-(5-oxopentanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 357.15471 | 185.1 |
[M+Na]+ | 379.13665 | 190.4 |
[M-H]- | 355.14015 | 187.0 |
[M+NH4]+ | 374.18125 | 190.2 |
[M+K]+ | 395.11059 | 181.1 |
[M+H-H2O]+ | 339.14469 | 172.0 |
[M+HCOO]- | 401.14563 | 202.0 |
[M+CH3COO]- | 415.16128 | 205.0 |
[M+Na-2H]- | 377.12210 | 175.1 |
[M]+ | 356.14688 | 182.7 |
[M]- | 356.14798 | 182.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.