CID 156962626

3-oxoheptanoylcarnitine

Structural Information

Molecular Formula
C14H26NO5
SMILES
CCCCC(=O)CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C14H25NO5/c1-5-6-7-11(16)8-14(19)20-12(9-13(17)18)10-15(2,3)4/h12H,5-10H2,1-4H3/p+1
InChIKey
NLTOPJKYHBVXAS-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-oxoheptanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1811 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.18838 166.2
[M+Na]+ 311.17032 173.2
[M+NH4]+ 306.21492 170.7
[M+K]+ 327.14426 172.1
[M-H]- 287.17382 163.8
[M+Na-2H]- 309.15577 166.2
[M]+ 288.18055 166.3
[M]- 288.18165 166.3
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.