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

72
Patents

262.12906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.136336 154.4
[M+Na]+ 285.118278 158.2
[M-H]- 261.121784 153.2
[M+NH4]+ 280.162883 174.8
[M+K]+ 301.092218 154.2
[M+H-H2O]+ 245.126320 152.3
[M+HCOO]- 307.127261 177.9
[M+CH3COO]- 321.142911 190.1
[M+Na-2H]- 283.103726 156.7
[M]+ 262.12851142 155.6
[M]- 262.12960858 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.