CID 88328224

4-hydroxybutyryl-l-carnitine chloride

Structural Information

Molecular Formula
C11H22NO5
SMILES
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCO
InChI
InChI=1S/C11H21NO5/c1-12(2,3)8-9(7-10(14)15)17-11(16)5-4-6-13/h9,13H,4-8H2,1-3H3/p+1/t9-/m1/s1
InChIKey
ZFJOZGQNTJRPDE-SECBINFHSA-O
Compound name
[(2R)-3-carboxy-2-(4-hydroxybutanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1498 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15708 155.1
[M+Na]+ 271.13902 159.2
[M-H]- 247.14252 153.8
[M+NH4]+ 266.18362 171.2
[M+K]+ 287.11296 154.1
[M+H-H2O]+ 231.14706 152.9
[M+HCOO]- 293.14800 173.5
[M+CH3COO]- 307.16365 187.4
[M+Na-2H]- 269.12447 159.4
[M]+ 248.14925 157.0
[M]- 248.15035 157.0
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.