CID 156960960

6-methyldecanoylcarnitine

Structural Information

Molecular Formula
C18H36NO4
SMILES
CCCCC(C)CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C18H35NO4/c1-6-7-10-15(2)11-8-9-12-18(22)23-16(13-17(20)21)14-19(3,4)5/h15-16H,6-14H2,1-5H3/p+1
InChIKey
XDCRPQGSSCRUSL-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-methyldecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.26443 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27171 182.1
[M+Na]+ 353.25365 188.8
[M+NH4]+ 348.29825 186.8
[M+K]+ 369.22759 186.2
[M-H]- 329.25715 180.3
[M+Na-2H]- 351.23910 181.6
[M]+ 330.26388 182.4
[M]- 330.26498 182.4
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.