CID 18406478

O-adipoylcarnitine

Structural Information

Molecular Formula
C13H24NO6
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCC(=O)O
InChI
InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)/p+1
InChIKey
BSVHAXJKBCWVDA-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-carboxypentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

290.16037 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16765 164.9
[M+Na]+ 313.14959 168.0
[M-H]- 289.15309 163.2
[M+NH4]+ 308.19419 181.9
[M+K]+ 329.12353 162.9
[M+H-H2O]+ 273.15763 162.2
[M+HCOO]- 335.15857 188.1
[M+CH3COO]- 349.17422 195.2
[M+Na-2H]- 311.13504 167.3
[M]+ 290.15982 167.5
[M]- 290.16092 167.5
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.