CID 156962797

3-oxononanoylcarnitine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21968 174.8
[M+Na]+ 339.20162 181.4
[M+NH4]+ 334.24622 178.9
[M+K]+ 355.17556 179.9
[M-H]- 315.20512 172.3
[M+Na-2H]- 337.18707 174.3
[M]+ 316.21185 174.8
[M]- 316.21295 174.8
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.