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(2S)-2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]propionic acid
SpectraBase Compound ID K5Iq1ZUnJui
InChI InChI=1S/C11H16N2O4/c1-6-10(15)9(8(5-14)3-12-6)4-13-7(2)11(16)17/h3,7,13-15H,4-5H2,1-2H3,(H,16,17)/t7-/m0/s1
InChIKey AUNRECYQHCOLTP-ZETCQYMHSA-N
Mol Weight 240.26 g/mol
Molecular Formula C11H16N2O4
Exact Mass 240.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ce8uttu0KK
Name (2S)-2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]propionic acid
CAS Registry Number 3614-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2O4
InChI InChI=1S/C11H16N2O4/c1-6-10(15)9(8(5-14)3-12-6)4-13-7(2)11(16)17/h3,7,13-15H,4-5H2,1-2H3,(H,16,17)/t7-/m0/s1
InChIKey AUNRECYQHCOLTP-ZETCQYMHSA-N
Molecular Weight 240.259 g/mol
SMILES OCc1cnc(c(c1CN[C@](C(=O)O)(C)[H])O)C
SPLASH splash10-004i-0900000000-a1c50729eed16cd52753
Source of Spectrum B-38-305-1
Synonyms (2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]propanoic acid (2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]propanoic acid (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]propanoic acid
Wiley ID 1242555