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1-Carboxyl-2-aza-bicyclo(2.1.1)hexane

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1-Carboxyl-2-aza-bicyclo(2.1.1)hexane
SpectraBase Compound ID 51ZiMd5swat
InChI InChI=1S/C6H9NO2/c8-5(9)6-1-4(2-6)3-7-6/h4,7H,1-3H2,(H,8,9)/t4-,6+
InChIKey XEVFXAFXZZYFSX-UHFFFAOYSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lbWP0pGUmK
Name 2-Azabicyclo[2.1.1]hexane-1-carboxylic acid
CAS Registry Number 73550-56-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c8-5(9)6-1-4(2-6)3-7-6/h4,7H,1-3H2,(H,8,9)/t4-,6+
InChIKey XEVFXAFXZZYFSX-UHFFFAOYSA-N
Molecular Weight 127.143 g/mol
SMILES N1C[C@]2(C[C@]1(C(=O)O)C2)[H]
SPLASH splash10-053r-8900000000-5788b061d49a20a8e1d1
Source of Spectrum J-53-4795-1
Synonyms 3-Azabicyclo[2.1.1]hexane-4-carboxylic acid 3-Azoniabicyclo[2.1.1]hexane-4-carboxylate
Wiley ID 1130628