RefMet Compound Details

MW structure3365 (View MW Metabolite Database details)
RefMet name3-Nonanol
Systematic nameNonan-3-ol
SMILESCCCCCCC(CC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass144.151415 (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
FormulaC9H20OView other entries in RefMet with this formula
InChIInChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
InChIKeyGYSCXPVAKHVAAY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty alcohols
Sub ClassFatty alcohols
Pubchem CID12216
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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