CID 57357188

Hydroxyisovaleroyl carnitine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

262.16544 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17272 157.6
[M+Na]+ 285.15466 164.5
[M+NH4]+ 280.19926 162.3
[M+K]+ 301.12860 164.7
[M-H]- 261.15816 154.6
[M+Na-2H]- 283.14011 158.0
[M]+ 262.16489 157.6
[M]- 262.16599 157.6
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.