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4-[(2-amino-3-pyridinyl)amino]-4-oxobutanoic acid
SpectraBase Compound ID IcCsuI4pwI1
InChI InChI=1S/C9H11N3O3/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(14)15/h1-2,5H,3-4H2,(H2,10,11)(H,12,13)(H,14,15)
InChIKey LXAGTPPCWYHCQV-UHFFFAOYSA-N
Mol Weight 209.21 g/mol
Molecular Formula C9H11N3O3
Exact Mass 209.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UlvH4tqd3c
Name 4-[(2-amino-3-pyridinyl)amino]-4-oxobutanoic acid
CAS Registry Number 109419-00-3
Comments Less than 3 mono-isotopic peaks
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Formula C9H11N3O3
InChI InChI=1S/C9H11N3O3/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(14)15/h1-2,5H,3-4H2,(H2,10,11)(H,12,13)(H,14,15)
InChIKey LXAGTPPCWYHCQV-UHFFFAOYSA-N
Molecular Weight 209.205 g/mol
SMILES N(c1c(nccc1)N)C(CCC(=O)O)=O
SPLASH splash10-03di-0490000000-15ea553ee79b46af8d4a
Source of Spectrum Y-23-1547-18
Synonyms 4-[(2-amino-3-pyridyl)amino]-4-keto-butyric acid 4-[(2-amino-3-pyridyl)amino]-4-oxo-butanoic acid 4-[(2-aminopyridin-3-yl)amino]-4-oxobutanoic acid 4-[(2-azanylpyridin-3-yl)amino]-4-oxidanylidene-butanoic acid
Wiley ID 1207920