2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid

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Systematic / IUPAC Name: 2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

ID: Reference8718

Other Names: 3-Carboxy-1,2,3,4-tetrahydro-2-carboline;
3-Carboxy-1,2,3,4-tetrahydro-β-carboline;
β-Carbocine-3-carboxylic acid;
1,2,3,4-Tetrahydrobeta-carboline-3-carboxylic acid;
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid ; more

Formula: C12H12N2O2

Spectral Data

2,3,4,9-Tetrahydro-1H-β-carboline-3-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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 11:53:56 AM
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Identificators

InChI InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
InChI Key FSNCEEGOMTYXKY-UHFFFAOYSA-N
Canonical SMILES C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O
CAS
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Other Names 3-Carboxy-1,2,3,4-tetrahydro-2-carboline;
3-Carboxy-1,2,3,4-tetrahydro-β-carboline;
β-Carbocine-3-carboxylic acid;
1,2,3,4-Tetrahydrobeta-carboline-3-carboxylic acid;
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid;
1H,2H,3H,4H,9H-Pyrido[3,4-b]indole-3-carboxylic acid;
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-;
2,3,4,9-Tetrahydro-1H-b-carboline-3-carboxylic acid;
L-1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid;
Tetrahydro-β-carboline-3-carboxylic acid

In Other Databases

ChemSpider 88749
WebBook 1524603788
ChemIDPlus 006052682; 6052682
ChEMBL CHEMBL149177
HMDb HMDB35665
PubChem 98285
ChEBI CHEBI:91151