CID 156961209

15-methylicosanoylcarnitine

Structural Information

Molecular Formula
C28H56NO4
SMILES
CCCCCC(C)CCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C28H55NO4/c1-6-7-17-20-25(2)21-18-15-13-11-9-8-10-12-14-16-19-22-28(32)33-26(23-27(30)31)24-29(3,4)5/h25-26H,6-24H2,1-5H3/p+1
InChIKey
QXYOTNCHLUOASZ-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(15-methylicosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.42093 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.42821 232.4
[M+Na]+ 493.41015 236.7
[M+NH4]+ 488.45475 206.5
[M+K]+ 509.38409 201.0
[M-H]- 469.41365 194.2
[M+Na-2H]- 491.39560 223.0
[M]+ 470.42038 232.3
[M]- 470.42148 232.3
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.