CID 71464479

Methylmalonylcarnitine

Structural Information

Molecular Formula
C11H20NO6
SMILES
CC(C(=O)O)C(=O)OC(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
InChIKey
XROYFEWIXXCPAW-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-carboxypropanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

105
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 154.4
[M+Na]+ 285.11828 158.2
[M-H]- 261.12178 153.2
[M+NH4]+ 280.16288 174.8
[M+K]+ 301.09222 154.2
[M+H-H2O]+ 245.12632 152.3
[M+HCOO]- 307.12726 177.9
[M+CH3COO]- 321.14291 190.1
[M+Na-2H]- 283.10373 156.7
[M]+ 262.12851 155.6
[M]- 262.12961 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.