3-{[(2-Cyano-1-methylvinyl)amino]carbonyl}-2-pyrazinecarboxylic acid
6993
Reference
3-{[(2-Cyano-1-methylvinyl)amino]carbonyl}-2-pyrazinecarboxylic acid Structure
Systematic / IUPAC Name: 3-{[(1E)-1-Cyano-1-propen-2-yl]carbamoyl}-2-pyrazinecarboxylic acid
ID: Reference6993
Other Names: 2-Pyrazinecarboxylic acid, 3-({[(E)-2-cyano-1-methylethenyl]amino}carbonyl)-
Formula: C10H8N4O3
Spectral Data
3-{[(2-Cyano-1-methylvinyl)amino]carbonyl}-2-pyrazinecarboxylic acid 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/20/2017 12:38:26 PM |
Identificators
| InChI | InChI=1S/C10H8N4O3/c1-6(2-3-11)14-9(15)7-8(10(16)17)13-5-4-12-7/h2,4-5H,1H3,(H,14,15)(H,16,17)/b6-2+ |
| InChI Key | MFMDTPNRODRBBK-QHHAFSJGSA-N |
| Canonical SMILES | CC(=CC#N)NC(=O)C1=NC=CN=C1C(=O)O |
| CAS | |
| Splash | |
| Other Names | 2-Pyrazinecarboxylic acid, 3-({[(E)-2-cyano-1-methylethenyl]amino}carbonyl)- |