3-Indoleacetonitrile

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Systematic / IUPAC Name: 1H-Indol-3-ylacetonitrile

ID: Reference206

Other Names: Indole-3-acetonitrile;
3-Indolylacetonitrile;
1H-Indole-3-acetonitrile;
Indolylacetonitrile;
3-(Cyanomethyl)indole ; more

Formula: C10H8N2

Class: Endogenous Metabolites

Spectral Data

3-Indoleacetonitrile 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
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2014 8:49:16 AM
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Identificators

InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChI Key DMCPFOBLJMLSNX-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CN2)CC#N
CAS 771517
Splash
Other Names Indole-3-acetonitrile;
3-Indolylacetonitrile;
1H-Indole-3-acetonitrile;
Indolylacetonitrile;
3-(Cyanomethyl)indole;
2-(1H-Indol-3-yl)acetonitrile;
Indoleacetonitrile;
(3-Indolyl)acetonitrile;
3-Indolacetonitrile;
(Indol-3-yl)acetonitrile;
Acetonitrile, 3-indolyl-;
(Indole-3-yl)acetonitrile;
Indolyl-3-acetonitrile;
2-Indol-3-ylethanenitrile;
β-Indoleacetonitrile;
3-Cyanomethyl-1H-indole;
β-Indole-3-acetonitrile;
3-(Cyanomethyl)-1H-indole

In Other Databases

ChemSpider 312357
ChEBI CHEBI:17566
ChemIDPlus 000771517
PubChem 351795
HMDb HMDB06524
KEGG C02938
ChEMBL CHEMBL1812654