CID 156962704

6-oxooctanoylcarnitine

Structural Information

Molecular Formula
C15H28NO5
SMILES
CCC(=O)CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C15H27NO5/c1-5-12(17)8-6-7-9-15(20)21-13(10-14(18)19)11-16(2,3)4/h13H,5-11H2,1-4H3/p+1
InChIKey
CKFURTBDTGSFJR-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-oxooctanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19675 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20403 170.5
[M+Na]+ 325.18597 177.3
[M+NH4]+ 320.23057 174.8
[M+K]+ 341.15991 176.0
[M-H]- 301.18947 168.0
[M+Na-2H]- 323.17142 170.2
[M]+ 302.19620 170.5
[M]- 302.19730 170.5
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.