Pyrrole-2-carboxylic acid

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Systematic / IUPAC Name: 1H-Pyrrole-2-carboxylic acid

ID: Reference572

Other Names: 2-Pyrrolecarboxylic acid;
Minaline;
2-Minaline;
2-Carboxy-1H-pyrrole

Formula: C5H5NO2

Class: Endogenous Metabolites

Spectral Data

Pyrrole-2-carboxylic 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 333
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/12/2016 6:10:37 AM
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Identificators

InChI InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChI Key WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Canonical SMILES C1=CNC(=C1)C(=O)O
CAS 634979
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Other Names 2-Pyrrolecarboxylic acid;
Minaline;
2-Minaline;
2-Carboxy-1H-pyrrole

In Other Databases

ChemSpider 11963
HMDb HMDB04230
ChEMBL CHEMBL509027
KEGG C05942
PubChem 12473
ChEBI CHEBI:36751
ChemIDPlus 000634979