CID 156962416

9-hydroxynonadecanoylcarnitine

Structural Information

Molecular Formula
C26H52NO5
SMILES
CCCCCCCCCCC(CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C26H51NO5/c1-5-6-7-8-9-10-12-15-18-23(28)19-16-13-11-14-17-20-26(31)32-24(21-25(29)30)22-27(2,3)4/h23-24,28H,5-22H2,1-4H3/p+1
InChIKey
NCOQETCZBPEIDZ-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-hydroxynonadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.38455 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.39183 224.9
[M+Na]+ 481.37377 201.4
[M+NH4]+ 476.41837 200.7
[M+K]+ 497.34771 195.2
[M-H]- 457.37727 189.9
[M+Na-2H]- 479.35922 216.2
[M]+ 458.38400 225.0
[M]- 458.38510 225.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.