CID 124350799

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

5
References

227
Patents

248.1498 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.157076 154.4
[M+Na]+ 271.139018 158.2
[M-H]- 247.142524 153.1
[M+NH4]+ 266.183623 170.5
[M+K]+ 287.112958 153.7
[M+H-H2O]+ 231.147060 152.3
[M+HCOO]- 293.148001 171.8
[M+CH3COO]- 307.163651 188.2
[M+Na-2H]- 269.124466 157.5
[M]+ 248.14925142 155.6
[M]- 248.15034858 155.6
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.