CID 208598

3-(2-pyridyl)-3-quinuclidinol

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CN2CCC1C(C2)(C3=CC=CC=N3)O

InChI

InChI=1S/C12H16N2O/c15-12(11-3-1-2-6-13-11)9-14-7-4-10(12)5-8-14/h1-3,6,10,15H,4-5,7-9H2

InChIKey

FHOSTDOWRPDWLG-UHFFFAOYSA-N

Compound name

3-pyridin-2-yl-1-azabicyclo[2.2.2]octan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 204.12627 Da
Monoisotopic Mass: 0.4
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]+	205.13355	144.9
[M+Na]+	227.11549	157.1
[M+NH4]+	222.16009	157.1
[M+K]+	243.08943	147.3
[M-H]-	203.11899	144.6
[M+Na-2H]-	225.10094	147.3
[M]+	204.12572	146.7
[M]-	204.12682	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe