CID 118194970

3-hydroxyvalerylcarnitine

Structural Information

Molecular Formula
C12H24NO5
SMILES
CCC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C12H23NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,14H,5-8H2,1-4H3/p+1
InChIKey
SHDVOJJCEZGPBX-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

262.16544 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17272 158.8
[M+Na]+ 285.15466 165.7
[M+NH4]+ 280.19926 163.6
[M+K]+ 301.12860 165.5
[M-H]- 261.15816 156.2
[M+Na-2H]- 283.14011 158.8
[M]+ 262.16489 158.8
[M]- 262.16599 158.8
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.