CID 53890209

9-oxodecanoylcarnitine

Structural Information

Molecular Formula
C17H32NO5
SMILES
CC(=O)CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C17H31NO5/c1-14(19)10-8-6-5-7-9-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3/p+1
InChIKey
HPYXWENGPHSITD-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-oxodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.22806 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23534 179.1
[M+Na]+ 353.21728 185.5
[M+NH4]+ 348.26188 168.9
[M+K]+ 369.19122 183.7
[M-H]- 329.22078 176.5
[M+Na-2H]- 351.20273 178.3
[M]+ 330.22751 179.0
[M]- 330.22861 179.0
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.