RefMet Compound Details

MW structure45648 (View MW Metabolite Database details)
RefMet name2-(Methylamino)benzoic acid
Systematic name2-(methylamino)benzoic acid
SMILESCNc1ccccc1C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass151.063329 (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
FormulaC8H9NO2View other entries in RefMet with this formula
InChIKeyWVMBPWMAQDVZCM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassAminobenzoic acids
Pubchem CID67069
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)