CID 96365703

O-methylmalonylcarnitine

Structural Information

Molecular Formula
C11H20NO6
SMILES
C[C@H](C(=O)O)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)/p+1/t7-,8-/m1/s1
InChIKey
XROYFEWIXXCPAW-HTQZYQBOSA-O
Compound name
[(2R)-3-carboxy-2-[(2R)-2-carboxypropanoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

262.12906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13634 155.4
[M+Na]+ 285.11828 161.7
[M+NH4]+ 280.16288 159.4
[M+K]+ 301.09222 163.1
[M-H]- 261.12178 151.9
[M+Na-2H]- 283.10373 154.8
[M]+ 262.12851 154.9
[M]- 262.12961 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.