RefMet Compound Details

MW structure38922 (View MW Metabolite Database details)
RefMet name3-Indoleacetonitrile
Systematic name2-(1H-indol-3-yl)acetonitrile
SMILESc1ccc2c(c1)c(CC#N)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass156.068748 (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
FormulaC10H8N2View other entries in RefMet with this formula
InChIKeyDMCPFOBLJMLSNX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Pubchem CID351795
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)