CID 156961171

15-methylnonadecanoylcarnitine

Structural Information

Molecular Formula
C27H54NO4
SMILES
CCCCC(C)CCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C27H53NO4/c1-6-7-19-24(2)20-17-15-13-11-9-8-10-12-14-16-18-21-27(31)32-25(22-26(29)30)23-28(3,4)5/h24-25H,6-23H2,1-5H3/p+1
InChIKey
XOYWUVQOVHNRKI-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(15-methylnonadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.40527 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.41255 228.8
[M+Na]+ 479.39449 233.2
[M+NH4]+ 474.43909 203.1
[M+K]+ 495.36843 197.5
[M-H]- 455.39799 191.1
[M+Na-2H]- 477.37994 219.7
[M]+ 456.40472 228.8
[M]- 456.40582 228.8
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.