Homo-anatoxin

Systematic / IUPAC Name: 1-(9-Azabicyclo[4.2.1]non-4-en-5-yl)propan-1-one

ID: Reference8285

Other Names: 1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)-1-propanone

Formula: C11H17NO

Class: Natural Toxins

Spectral Data

Homo-anatoxin 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 1466
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 7:26:09 AM
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Identificators

InChI InChI=1S/C11H17NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h5,8,10,12H,2-4,6-7H2,1H3
InChI Key VVMQRZZXKNDPOT-UHFFFAOYSA-N
Canonical SMILES CCC(=O)C1=CCCC2CCC1N2
CAS
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Other Names 1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)-1-propanone

In Other Databases

PubChem 20056049
ChemSpider 19981464
ChemIDPlus 142926861