CID 156962565

3,4,5-trihydroxypentanoylcarnitine

Structural Information

Molecular Formula
C12H24NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CC(C(CO)O)O
InChI
InChI=1S/C12H23NO7/c1-13(2,3)6-8(4-11(17)18)20-12(19)5-9(15)10(16)7-14/h8-10,14-16H,4-7H2,1-3H3/p+1
InChIKey
CLDWQVMPZRSBPB-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3,4,5-trihydroxypentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15527 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16255 163.5
[M+Na]+ 317.14449 167.9
[M+NH4]+ 312.18909 166.2
[M+K]+ 333.11843 170.3
[M-H]- 293.14799 158.5
[M+Na-2H]- 315.12994 161.1
[M]+ 294.15472 162.2
[M]- 294.15582 162.2
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.