RefMet Compound Details

RefMet IDRM0002142
MW structure41990 (View MW Metabolite Database details)
RefMet nameVanillylamine
Systematic name4-(aminomethyl)-2-methoxyphenol
SMILESCOc1cc(ccc1O)CN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass153.078979 (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
FormulaC8H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
InChIKeyWRPWWVNUCXQDQV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassPhenylethylamines
Pubchem CID70966
ChEBI ID46958
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo