CID 156962946
9-(5-hexyl-3-methylfuran-2-yl)nonanoylcarnitine
Structural Information
- Molecular Formula
- C27H48NO5
- SMILES
- CCCCCCC1=CC(=C(O1)CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C
- InChI
- InChI=1S/C27H47NO5/c1-6-7-8-13-16-23-19-22(2)25(32-23)17-14-11-9-10-12-15-18-27(31)33-24(20-26(29)30)21-28(3,4)5/h19,24H,6-18,20-21H2,1-5H3/p+1
- InChIKey
- SHCIRJBPIWOIGR-UHFFFAOYSA-O
- Compound name
- [3-carboxy-2-[9-(5-hexyl-3-methylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 467.36052 | 225.8 |
[M+Na]+ | 489.34246 | 226.0 |
[M-H]- | 465.34596 | 227.9 |
[M+NH4]+ | 484.38706 | 229.3 |
[M+K]+ | 505.31640 | 218.5 |
[M+H-H2O]+ | 449.35050 | 220.8 |
[M+HCOO]- | 511.35144 | 240.2 |
[M+CH3COO]- | 525.36709 | 235.3 |
[M+Na-2H]- | 487.32791 | 222.9 |
[M]+ | 466.35269 | 234.7 |
[M]- | 466.35379 | 234.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.