CID 156962230

8-hydroxyhexadecanoylcarnitine

Structural Information

Molecular Formula
C23H46NO5
SMILES
CCCCCCCCC(CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C23H45NO5/c1-5-6-7-8-9-12-15-20(25)16-13-10-11-14-17-23(28)29-21(18-22(26)27)19-24(2,3)4/h20-21,25H,5-19H2,1-4H3/p+1
InChIKey
HCYCFTQCHNPGDK-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(8-hydroxyhexadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.3376 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34488 215.7
[M+Na]+ 439.32682 222.3
[M-H]- 415.33032 212.6
[M+NH4]+ 434.37142 219.2
[M+K]+ 455.30076 218.0
[M+H-H2O]+ 399.33486 210.4
[M+HCOO]- 461.33580 222.0
[M+CH3COO]- 475.35145 223.6
[M+Na-2H]- 437.31227 205.0
[M]+ 416.33705 213.8
[M]- 416.33815 213.8
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.