CID 92179369

3-methylglutarylcarnitine

Structural Information

Molecular Formula
C13H24NO6
SMILES
C[C@H](CC(=O)O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)/p+1/t9-,10-/m1/s1
InChIKey
HFCPFJNSBPQJDP-NXEZZACHSA-O
Compound name
[(2R)-3-carboxy-2-[(3R)-4-carboxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

1
Patents

290.16037 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16765 164.0
[M+Na]+ 313.14959 169.9
[M+NH4]+ 308.19419 167.6
[M+K]+ 329.12353 170.8
[M-H]- 289.15309 160.3
[M+Na-2H]- 311.13504 162.9
[M]+ 290.15982 163.4
[M]- 290.16092 163.4
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.