2-{2-Oxo-2-[4-(1H-pyrrol-1-yl)piperidino]ethoxy}acetic acid

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Systematic / IUPAC Name: {2-Oxo-2-[4-(1H-pyrrol-1-yl)-1-piperidinyl]ethoxy}acetic acid

ID: Reference4046

Other Names: Acetic acid, 2-[2-oxo-2-[4-(1H-pyrrol-1-yl)-1-piperidinyl]ethoxy]-

Formula: C13H18N2O4

Spectral Data

2-{2-Oxo-2-[4-(1H-pyrrol-1-yl)piperidino]ethoxy}acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2016 2:41:44 PM
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Identificators

InChI InChI=1S/C13H18N2O4/c16-12(9-19-10-13(17)18)15-7-3-11(4-8-15)14-5-1-2-6-14/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)
InChI Key CTFDOZUUGNTVSG-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1N2C=CC=C2)C(=O)COCC(=O)O
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Other Names Acetic acid, 2-[2-oxo-2-[4-(1H-pyrrol-1-yl)-1-piperidinyl]ethoxy]-

In Other Databases

ChemSpider 2088125
PubChem 2809704