CID 156961269

15-methyldocosanoylcarnitine

Structural Information

Molecular Formula
C30H60NO4
SMILES
CCCCCCCC(C)CCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C30H59NO4/c1-6-7-8-16-19-22-27(2)23-20-17-14-12-10-9-11-13-15-18-21-24-30(34)35-28(25-29(32)33)26-31(3,4)5/h27-28H,6-26H2,1-5H3/p+1
InChIKey
XBYFXCAIDVUJTF-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(15-methyldocosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.45224 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.45952 239.6
[M+Na]+ 521.44146 243.5
[M+NH4]+ 516.48606 213.2
[M+K]+ 537.41540 208.0
[M-H]- 497.44496 200.3
[M+Na-2H]- 519.42691 229.5
[M]+ 498.45169 239.3
[M]- 498.45279 239.3
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.