CID 156961069

4-methylhexadecanoylcarnitine

Structural Information

Molecular Formula
C24H48NO4
SMILES
CCCCCCCCCCCCC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-21(2)17-18-24(28)29-22(19-23(26)27)20-25(3,4)5/h21-22H,6-20H2,1-5H3/p+1
InChIKey
WOWAELCASXYBCH-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-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 218.7
[M+Na]+ 437.34756 226.7
[M-H]- 413.35106 215.1
[M+NH4]+ 432.39216 223.8
[M+K]+ 453.32150 222.9
[M+H-H2O]+ 397.35560 214.4
[M+HCOO]- 459.35654 226.3
[M+CH3COO]- 473.37219 227.3
[M+Na-2H]- 435.33301 208.7
[M]+ 414.35779 218.1
[M]- 414.35889 218.1
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.