RefMet Compound Details

MW structure44026 (View MW Metabolite Database details)
RefMet nameIndole-3-methyl acetate
Systematic namemethyl 2-(1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2ccccc21
Exact mass189.078979 (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
FormulaC11H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
InChIKeyKTHADMDGDNYQRX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassIndoles
Sub ClassIndole-3-acetic acid derivatives
Pubchem CID74706
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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