CID 156961473

5-hydroxydecanoylcarnitine

Structural Information

Molecular Formula
C17H34NO5
SMILES
CCCCCC(CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C17H33NO5/c1-5-6-7-9-14(19)10-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h14-15,19H,5-13H2,1-4H3/p+1
InChIKey
DUMQXZAINOHDGF-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-hydroxydecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2437 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25098 182.8
[M+Na]+ 355.23292 184.1
[M-H]- 331.23642 192.4
[M+NH4]+ 350.27752 197.1
[M+K]+ 371.20686 178.1
[M+H-H2O]+ 315.24096 179.6
[M+HCOO]- 377.24190 202.1
[M+CH3COO]- 391.25755 206.1
[M+Na-2H]- 353.21837 182.8
[M]+ 332.24315 186.2
[M]- 332.24425 186.2
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.