RefMet Compound Details

MW structure37897 (View MW Metabolite Database details)
RefMet name3-Methylhistamine
Systematic name2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
Canonical SMILESC[n]1c[n]cc1CCN
Exact mass125.0953View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H11N3View other entries in RefMet with this formula
InChIInChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
InChIKeyCPAGZVLINCPJEH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Pubchem CID69520
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