CID 156962324
5-hydroxyhexadecanedioylcarnitine
Structural Information
- Molecular Formula
- C23H44NO7
- SMILES
- C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCC(CCCCCCCCCCC(=O)O)O
- InChI
- InChI=1S/C23H43NO7/c1-24(2,3)18-20(17-22(28)29)31-23(30)16-12-14-19(25)13-10-8-6-4-5-7-9-11-15-21(26)27/h19-20,25H,4-18H2,1-3H3,(H-,26,27,28,29)/p+1
- InChIKey
- GELHGVKIBVCYCG-UHFFFAOYSA-O
- Compound name
- [3-carboxy-2-(15-carboxy-5-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.31905 | 214.3 |
[M+Na]+ | 469.30099 | 219.8 |
[M-H]- | 445.30449 | 214.1 |
[M+NH4]+ | 464.34559 | 218.8 |
[M+K]+ | 485.27493 | 215.7 |
[M+H-H2O]+ | 429.30903 | 208.8 |
[M+HCOO]- | 491.30997 | 217.2 |
[M+CH3COO]- | 505.32562 | 224.9 |
[M+Na-2H]- | 467.28644 | 203.4 |
[M]+ | 446.31122 | 211.1 |
[M]- | 446.31232 | 211.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.