CID 123238

Quinuclidin-3-amine

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1CN2CCC1C(C2)N

InChI

InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2

InChIKey

REUAXQZIRFXQML-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3042
Patents: 126.1157 Da
Monoisotopic Mass: -0.1
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]+	127.12298	121.8
[M+Na]+	149.10492	131.5
[M+NH4]+	144.14952	133.2
[M+K]+	165.07886	124.8
[M-H]-	125.10842	120.8
[M+Na-2H]-	147.09037	120.9
[M]+	126.11515	122.7
[M]-	126.11625	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe