CID 124350799

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
4
Annotation Hits

13
References

294
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 154.4
[M+Na]+ 271.13902 158.2
[M-H]- 247.14252 153.1
[M+NH4]+ 266.18362 170.5
[M+K]+ 287.11296 153.7
[M+H-H2O]+ 231.14706 152.3
[M+HCOO]- 293.14800 171.8
[M+CH3COO]- 307.16365 188.2
[M+Na-2H]- 269.12447 157.5
[M]+ 248.14925 155.6
[M]- 248.15035 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.