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2-(1,3-benzodioxol-5-ylamino)acetic acid
SpectraBase Compound ID IMtW5xAQWb4
InChI InChI=1S/C9H9NO4/c11-9(12)4-10-6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey UBQVWUJLVYTCIT-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3m8Ae2bLhm
Name 2-(1,3-benzodioxol-5-ylamino)acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c11-9(12)4-10-6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey UBQVWUJLVYTCIT-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES N(c1cc2c(OCO2)cc1)CC(=O)O
SPLASH splash10-0udi-0900000000-13c82f8ca1d6488ac4bf
Source of Spectrum J-67-6545-3
Synonyms 2-(1,3-benzodioxol-5-ylamino)ethanoic acid
Wiley ID 1570829