Pentylone
2423
Reference
Pentylone Structure
Systematic / IUPAC Name: 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)pentan-1-one
ID: Reference2423
Other Names:
bk-Methyl-K;
β-Keto-methylbenzodioxolylpentanamine;
bk-MBDP
Formula: C13H17NO3
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
Pentylone 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 | 2 |
| No. of Spectra | 164 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/19/2016 12:27:58 PM |
Identificators
| InChI | InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChI Key | DFMLULIEUUXXSA-UHFFFAOYSA-N |
| Canonical SMILES | CCCC(C(=O)C1=CC2=C(C=C1)OCO2)NC |
| CAS | 698963778 |
| Splash | |
| Other Names |
bk-Methyl-K; β-Keto-methylbenzodioxolylpentanamine; bk-MBDP |