CID 124350799

(r)-3-hydroxybutyrylcarnitine

Structural Information

Molecular Formula
C11H22NO5
SMILES
C[C@H](CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3/p+1/t8-,9+/m1/s1
InChIKey
UEFRDQSMQXDWTO-BDAKNGLRSA-O
Compound name
[(2S)-3-carboxy-2-[(3R)-3-hydroxybutanoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

252
Patents

248.1498 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15708 154.5
[M+Na]+ 271.13902 161.6
[M+NH4]+ 266.18362 159.4
[M+K]+ 287.11296 161.6
[M-H]- 247.14252 151.9
[M+Na-2H]- 269.12447 154.7
[M]+ 248.14925 154.5
[M]- 248.15035 154.5
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.