RefMet Compound Details

RefMet IDRM0010976
MW structure41979 (View MW Metabolite Database details)
RefMet nameTrimethylaminoacetone
Systematic nametrimethyl(2-oxopropyl)azanium
SMILESCC(=O)C[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass116.107539 (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
FormulaC6H14NOView other entries in RefMet with this formula
InChIInChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1
InChIKeyLFWNPKYGVKNNAB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassCarbonyl compounds
Sub ClassOther carbonyl compounds
Pubchem CID151806
ChEBI ID166498
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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