1-(5-Hydroxypentyl)-1H-indole-3-carboxylic acid

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Systematic / IUPAC Name: 1-(5-Hydroxypentyl)indole-3-carboxylic acid

ID: Reference8490

Other Names: 1H-Indole-3-carboxylic acid, 1-(5-hydroxypentyl)-;
N-Hydroxypentyl-3-carboxyindole

Formula: C14H17NO3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

1-(5-Hydroxypentyl)-1H-indole-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 Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 314
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 9:12:02 AM
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Identificators

InChI InChI=1S/C14H17NO3/c16-9-5-1-4-8-15-10-12(14(17)18)11-6-2-3-7-13(11)15/h2-3,6-7,10,16H,1,4-5,8-9H2,(H,17,18)
InChI Key ZCWYUPUVKMTKDB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CN2CCCCCO)C(=O)O
CAS
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Other Names 1H-Indole-3-carboxylic acid, 1-(5-hydroxypentyl)-;
N-Hydroxypentyl-3-carboxyindole

In Other Databases

PubChem 62229559
Cayman 14564; 14564.0
ChemSpider 29341636