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1-Ammonium 4-aza-5-oxo-9-octanoate

View entire compound with spectra: 1 MS (GC)

1-Ammonium 4-aza-5-oxo-9-octanoate
SpectraBase Compound ID EL5EIhuXN7j
InChI InChI=1S/C8H16N2O3/c9-5-2-6-10-7(11)3-1-4-8(12)13/h1-6,9H2,(H,10,11)(H,12,13)
InChIKey JJAIXPGDUNIVMY-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C8H16N2O3
Exact Mass 188.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPVJgOZ888U
Name 1-Ammonium 4-aza-5-oxo-9-octanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16N2O3
InChI InChI=1S/C8H16N2O3/c9-5-2-6-10-7(11)3-1-4-8(12)13/h1-6,9H2,(H,10,11)(H,12,13)
InChIKey JJAIXPGDUNIVMY-UHFFFAOYSA-N
Molecular Weight 188.227 g/mol
SMILES N(C(CCCC([O-])=O)=O)CCC[NH3+]
SPLASH splash10-0a4i-9000000000-ae09c24151ef061c5de9
Source of Spectrum D8-327-749-14
Synonyms 5-(3-aminopropylamino)-5-oxopentanoic acid 5-(3-aminopropylamino)-5-oxo-pentanoic acid 5-(3-azanylpropylamino)-5-oxidanylidene-pentanoic acid
Wiley ID 1515402