RefMet Compound Details

MW structure37262 (View MW Metabolite Database details)
RefMet name3-Methylindole
Systematic name3-methyl-1H-indole
SMILESCc1c[nH]c2ccccc12   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass131.073499 (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
FormulaC9H9NView other entries in RefMet with this formula
InChIKeyZFRKQXVRDFCRJG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Pubchem CID6736
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)