CID 43121520

N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C1CC1NC2CN3CCC2CC3

InChI

InChI=1S/C10H18N2/c1-2-9(1)11-10-7-12-5-3-8(10)4-6-12/h8-11H,1-7H2

InChIKey

BGHAYKTWSUNIJA-UHFFFAOYSA-N

Compound name

N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.147 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.154276	137.0
[M+Na]+	189.136218	142.4
[M-H]-	165.139724	136.0
[M+NH4]+	184.180823	155.2
[M+K]+	205.110158	138.6
[M+H-H2O]+	149.144260	130.4
[M+HCOO]-	211.145201	148.6
[M+CH3COO]-	225.160851	147.0
[M+Na-2H]-	187.121666	148.0
[M]+	166.14645142	137.3
[M]-	166.14754858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.