CID 129640

69267-68-1

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CN3CCC2CC3

InChI

InChI=1S/C16H22N2O/c1-11-4-3-5-12(2)15(11)17-16(19)14-10-18-8-6-13(14)7-9-18/h3-5,13-14H,6-10H2,1-2H3,(H,17,19)

InChIKey

HCIRLKXASKPUHN-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 3
Patents: 258.17322 Da
Monoisotopic Mass: 2.4
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]+	259.18050	159.7
[M+Na]+	281.16244	162.8
[M-H]-	257.16594	157.8
[M+NH4]+	276.20704	179.3
[M+K]+	297.13638	159.3
[M+H-H2O]+	241.17048	152.6
[M+HCOO]-	303.17142	169.9
[M+CH3COO]-	317.18707	168.4
[M+Na-2H]-	279.14789	167.8
[M]+	258.17267	159.2
[M]-	258.17377	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe