1-[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methanamine

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Systematic / IUPAC Name: [(2R,4S,5R)-5-(5-Cyclohexyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine

ID: Reference9011

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-, (2R,4S,5R)-;
NAT13-333621

Formula: C18H30N4

Spectral Data

1-[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methanamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 435
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:43:24 AM
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Identificators

InChI InChI=1S/C18H30N4/c1-21-18(10-17(20-21)13-5-3-2-4-6-13)16-12-22-8-7-14(16)9-15(22)11-19/h10,13-16H,2-9,11-12,19H2,1H3/t14-,15+,16-/m0/s1
InChI Key HZFUXRTWVSMXTC-XHSDSOJGSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCCC2)C3CN4CCC3CC4CN
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-, (2R,4S,5R)-;
NAT13-333621

In Other Databases

PubChem 30734266
ChemSpider 21380966