4-[(2-Cyclohex-1-enylethyl)amino]-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxo-2-butenoic acid

ID: Reference3885

Other Names: (E)-4-[2-(Cyclohexen-1-yl)ethylamino]-4-keto-but-2-enoic acid;
(2E)-4-{[2-(Cyclohex-1-en-1-yl)ethyl]amino}-4-oxobut-2-enoic acid

Formula: C12H17NO3

Spectral Data

4-[(2-Cyclohex-1-enylethyl)amino]-4-oxobut-2-enoic 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 83
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/16/2016 1:09:29 PM
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Identificators

InChI InChI=1S/C12H17NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,13,14)(H,15,16)/b7-6+
InChI Key DUMIYBZROAZLRP-VOTSOKGWSA-N
Canonical SMILES C1CCC(=CC1)CCNC(=O)C=CC(=O)O
CAS
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Other Names (E)-4-[2-(Cyclohexen-1-yl)ethylamino]-4-keto-but-2-enoic acid;
(2E)-4-{[2-(Cyclohex-1-en-1-yl)ethyl]amino}-4-oxobut-2-enoic acid

In Other Databases

ChemSpider 4735851
ChEMBL CHEMBL1429767
PubChem 5890451