CID 156962799

6-oxononanoylcarnitine

Structural Information

Molecular Formula
C16H30NO5
SMILES
CCCC(=O)CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C16H29NO5/c1-5-8-13(18)9-6-7-10-16(21)22-14(11-15(19)20)12-17(2,3)4/h14H,5-12H2,1-4H3/p+1
InChIKey
AHMPHMICBWOASN-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-oxononanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21968 176.2
[M+Na]+ 339.20162 178.7
[M-H]- 315.20512 175.4
[M+NH4]+ 334.24622 193.9
[M+K]+ 355.17556 173.2
[M+H-H2O]+ 299.20966 173.1
[M+HCOO]- 361.21060 199.1
[M+CH3COO]- 375.22625 204.6
[M+Na-2H]- 337.18707 177.3
[M]+ 316.21185 180.5
[M]- 316.21295 180.5
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.