2-(tert-Butylsulfonyl)-3-(piperidinoamino)acrylonitrile

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Systematic / IUPAC Name: (2E)-2-[(2-Methyl-2-propanyl)sulfonyl]-3-(1-piperidinylamino)acrylonitrile

ID: Reference7034

Other Names: (E)-2-tert-Butylsulfonyl-3-(piperidin-1-ylamino)prop-2-enenitrile;
2-Propenenitrile, 2-[(1,1-dimethylethyl)sulfonyl]-3-(1-piperidinylamino)-, (2E)-

Formula: C12H21N3O2S

Spectral Data

2-(tert-Butylsulfonyl)-3-(piperidinoamino)acrylonitrile 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 11:40:27 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H21N3O2S/c1-12(2,3)18(16,17)11(9-13)10-14-15-7-5-4-6-8-15/h10,14H,4-8H2,1-3H3/b11-10+
InChI Key ZQAWWSINNBCEGN-ZHACJKMWSA-N
Canonical SMILES CC(C)(C)S(=O)(=O)C(=CNN1CCCCC1)C#N
CAS
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Other Names (E)-2-tert-Butylsulfonyl-3-(piperidin-1-ylamino)prop-2-enenitrile;
2-Propenenitrile, 2-[(1,1-dimethylethyl)sulfonyl]-3-(1-piperidinylamino)-, (2E)-

In Other Databases

ChemSpider 2098000
PubChem 2819770