RefMet Compound Details

MW structure50249 (View MW Metabolite Database details)
RefMet nameN-Methylpyridinium
Systematic name1-methylpyridinium
SMILESC[n+]1ccccc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass94.065674 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H8NView other entries in RefMet with this formula
InChIKeyPQBAWAQIRZIWIV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID13597
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)