Cimbuterol
1981
Reference
Cimbuterol Structure
Systematic / IUPAC Name: 2-Amino-5-{1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}benzonitrile
ID: Reference1981
Other Names: Benzonitrile, 2-amino-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
Formula: C13H19N3O
Spectral Data
Cimbuterol 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 Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/13/2015 12:48:30 PM |
Identificators
| InChI | InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3 |
| InChI Key | YKKQAXQGZIBJFS-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O |
| CAS | |
| Splash | |
| Other Names | Benzonitrile, 2-amino-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- |