CID 660870

2-methylene-3-(o-tolyl)-3-quinuclidinol hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

CC1=CC=CC=C1C2(C3CCN(C2=C)CC3)O

InChI

InChI=1S/C15H19NO/c1-11-5-3-4-6-14(11)15(17)12(2)16-9-7-13(15)8-10-16/h3-6,13,17H,2,7-10H2,1H3

InChIKey

PFKAJVHTQNHMGR-UHFFFAOYSA-N

Compound name

2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 0
Patents: 229.14667 Da
Monoisotopic Mass: 2.5
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]+	230.153946	153.9
[M+Na]+	252.135888	159.5
[M-H]-	228.139394	151.4
[M+NH4]+	247.180493	176.5
[M+K]+	268.109828	154.6
[M+H-H2O]+	212.143930	147.0
[M+HCOO]-	274.144871	163.0
[M+CH3COO]-	288.160521	163.5
[M+Na-2H]-	250.121336	163.3
[M]+	229.14612142	153.0
[M]-	229.14721858	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.