2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile
3781
Reference
2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile Structure
Systematic / IUPAC Name: (2E)-2-(Cyclopropylcarbonyl)-3-(2-pyridinylamino)acrylonitrile
ID: Reference3781
Other Names: Cyclopropanepropanenitrile, β-oxo-α-[(2-pyridinylamino)methylene]-, (αE)-
Formula: C12H11N3O
Spectral Data
2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 2/10/2016 11:31:52 AM |
Identificators
| InChI | InChI=1S/C12H11N3O/c13-7-10(12(16)9-4-5-9)8-15-11-3-1-2-6-14-11/h1-3,6,8-9H,4-5H2,(H,14,15)/b10-8+ |
| InChI Key | GUJHVNHITJUTSX-CSKARUKUSA-N |
| Canonical SMILES | C1CC1C(=O)C(=CNC2=CC=CC=N2)C#N |
| CAS | |
| Splash | |
| Other Names | Cyclopropanepropanenitrile, β-oxo-α-[(2-pyridinylamino)methylene]-, (αE)- |
In Other Databases
| ChemSpider | 2097353 |
| PubChem | 2819119 |
| ChEMBL | CHEMBL1741350 |