CID 156962596

5-hydroxyheptanoylcarnitine

Structural Information

Molecular Formula
C14H28NO5
SMILES
CCC(CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C14H27NO5/c1-5-11(16)7-6-8-14(19)20-12(9-13(17)18)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3/p+1
InChIKey
JGYMSEVETFVRSO-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-hydroxyheptanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19675 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20403 168.7
[M+Na]+ 313.18597 171.2
[M-H]- 289.18947 166.8
[M+NH4]+ 308.23057 185.8
[M+K]+ 329.15991 166.0
[M+H-H2O]+ 273.19401 166.0
[M+HCOO]- 335.19495 191.9
[M+CH3COO]- 349.21060 197.2
[M+Na-2H]- 311.17142 170.2
[M]+ 290.19620 171.0
[M]- 290.19730 171.0
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.