3-Carboxymedetomidine
7191
Reference
3-Carboxymedetomidine Structure
Systematic / IUPAC Name: 3-[1-(1H-Imidazol-4-yl)ethyl]-2-methylbenzoic acid
ID: Reference7191
Other Names: Benzoic acid, 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-
Formula: C13H14N2O2
Class: Sports Doping Drugs
Spectral Data
3-Carboxymedetomidine 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 | 251 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/18/2017 9:47:03 AM |
Identificators
| InChI | InChI=1S/C13H14N2O2/c1-8-10(4-3-5-11(8)13(16)17)9(2)12-6-14-7-15-12/h3-7,9H,1-2H3,(H,14,15)(H,16,17) |
| InChI Key | AKQQNNGMIFWCSO-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=CC=C1C(C)C2=CN=CN2)C(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl- |