RefMet Compound Details

RefMet IDRM0031734
MW structure49690 (View MW Metabolite Database details)
RefMet nameRitalinic acid
Systematic name2-phenyl-2-(piperidin-2-yl)acetic acid
SMILESc1ccc(cc1)C(C1CCCCN1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass219.125929 (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
FormulaC13H17NO2View other entries in RefMet with this formula
InChIInChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
InChIKeyINGSNVSERUZOAK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Pubchem CID86863
ChEBI ID83481
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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