RefMet Compound Details

MW structure38235 (View MW Metabolite Database details)
RefMet nameAniline
Systematic nameaniline
SMILESc1ccc(cc1)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass93.057849 (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
FormulaC6H7NView other entries in RefMet with this formula
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyPAYRUJLWNCNPSJ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassAnilines
Sub ClassAnilines
Pubchem CID6115
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo