CID 156961017

8-methyltridecanoylcarnitine

Structural Information

Molecular Formula
C21H42NO4
SMILES
CCCCCC(C)CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C21H41NO4/c1-6-7-10-13-18(2)14-11-8-9-12-15-21(25)26-19(16-20(23)24)17-22(3,4)5/h18-19H,6-17H2,1-5H3/p+1
InChIKey
IUTYRWMIFSPDDI-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(8-methyltridecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.31137 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31865 195.0
[M+Na]+ 395.30059 201.1
[M+NH4]+ 390.34519 182.6
[M+K]+ 411.27453 197.8
[M-H]- 371.30409 193.1
[M+Na-2H]- 393.28604 193.8
[M]+ 372.31082 195.2
[M]- 372.31192 195.2
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.