CID 6604726

Decanoylcarnitine

Structural Information

Molecular Formula
C17H34NO4
SMILES
CCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/p+1/t15-/m1/s1
InChIKey
LZOSYCMHQXPBFU-OAHLLOKOSA-O
Compound name
[(2R)-3-carboxy-2-decanoyloxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

45
References

1154
Patents

316.24878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.25606 180.4
[M+Na]+ 339.23800 182.6
[M-H]- 315.24150 179.5
[M+NH4]+ 334.28260 197.4
[M+K]+ 355.21194 176.3
[M+H-H2O]+ 299.24604 177.1
[M+HCOO]- 361.24698 206.4
[M+CH3COO]- 375.26263 205.9
[M+Na-2H]- 337.22345 181.9
[M]+ 316.24823 185.1
[M]- 316.24933 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.