N1-(3,3,5-Trimethylcyclohexyl)-2-cyanoacetamide

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Systematic / IUPAC Name: 2-Cyano-N-(3,3,5-trimethylcyclohexyl)acetamide

ID: Reference3765

Other Names: Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)-

Formula: C12H20N2O

Spectral Data

N1-(3,3,5-Trimethylcyclohexyl)-2-cyanoacetamide 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 99
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/9/2016 1:29:16 PM
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Identificators

InChI InChI=1S/C12H20N2O/c1-9-6-10(8-12(2,3)7-9)14-11(15)4-5-13/h9-10H,4,6-8H2,1-3H3,(H,14,15)
InChI Key DOQDNMZNLGZKFI-UHFFFAOYSA-N
Canonical SMILES CC1CC(CC(C1)(C)C)NC(=O)CC#N
CAS
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Other Names Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)-

In Other Databases

PubChem 304852
ChemSpider 269595
ChEMBL CHEMBL1715484