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

2
Patents

248.1498 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.157076 155.1
[M+Na]+ 271.139018 159.2
[M-H]- 247.142524 153.8
[M+NH4]+ 266.183623 171.2
[M+K]+ 287.112958 154.1
[M+H-H2O]+ 231.147060 152.9
[M+HCOO]- 293.148001 173.5
[M+CH3COO]- 307.163651 187.4
[M+Na-2H]- 269.124466 159.4
[M]+ 248.14925142 157.0
[M]- 248.15034858 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

patents stripe