CID 156961089

6-methylhexadecanoylcarnitine

Structural Information

Molecular Formula
C24H48NO4
SMILES
CCCCCCCCCCC(C)CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-16-21(2)17-14-15-18-24(28)29-22(19-23(26)27)20-25(3,4)5/h21-22H,6-20H2,1-5H3/p+1
InChIKey
ZKDCNBUCLMDHKO-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-methylhexadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.35834 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.36562 217.7
[M+Na]+ 437.34756 222.7
[M+NH4]+ 432.39216 192.9
[M+K]+ 453.32150 228.3
[M-H]- 413.35106 181.7
[M+Na-2H]- 435.33301 205.9
[M]+ 414.35779 218.0
[M]- 414.35889 218.0
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.