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1-Ammonium 3-aza-4-oxo-8-octanoate
SpectraBase Compound ID 813gMVK6MYQ
InChI InChI=1S/C7H14N2O3/c8-4-5-9-6(10)2-1-3-7(11)12/h1-5,8H2,(H,9,10)(H,11,12)
InChIKey KNEOFBFHXTUMPI-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C7H14N2O3
Exact Mass 174.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfJ5UUpIH8g
Name 1-Ammonium 3-aza-4-oxo-8-octanoate
Comments Less than 3 mono-isotopic peaks
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Formula C7H14N2O3
InChI InChI=1S/C7H14N2O3/c8-4-5-9-6(10)2-1-3-7(11)12/h1-5,8H2,(H,9,10)(H,11,12)
InChIKey KNEOFBFHXTUMPI-UHFFFAOYSA-N
Molecular Weight 174.200 g/mol
SMILES N(C(CCCC([O-])=O)=O)CC[NH3+]
SPLASH splash10-000i-9000000000-15dfd31e20637b5c86c9
Source of Spectrum D8-327-749-11
Synonyms 5-(2-aminoethylamino)-5-oxopentanoic acid 5-(2-aminoethylamino)-5-oxo-pentanoic acid 5-(2-azanylethylamino)-5-oxidanylidene-pentanoic acid
Wiley ID 1515404