1-(3-Chlorophenyl)-N-{[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}methanamine
10463
Reference
1-(3-Chlorophenyl)-N-{[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}methanamine Structure
Systematic / IUPAC Name: N-[(3-Chlorophenyl)methyl]-1-[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
ID: Reference10463
Other Names: NAT13-337638
Formula: C17H21ClN2
Spectral Data
1-(3-Chlorophenyl)-N-{[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}methanamine 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 | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 900 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 10:00:58 AM |
Identificators
| InChI | InChI=1S/C17H21ClN2/c1-2-14-12-20-7-6-15(14)9-17(20)11-19-10-13-4-3-5-16(18)8-13/h1,3-5,8,14-15,17,19H,6-7,9-12H2/t14-,15-,17+/m0/s1 |
| InChI Key | SQCRRLLBSBZFMH-YQQAZPJKSA-N |
| Canonical SMILES | C#CC1CN2CCC1CC2CNCC3=CC(=CC=C3)Cl |
| CAS | |
| Splash | |
| Other Names | NAT13-337638 |