CID 1979

Aceclidine

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(=O)OC1CN2CCC1CC2

InChI

InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3

InChIKey

WRJPSSPFHGNBMG-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 40
References: 2356
Patents: 169.11028 Da
Monoisotopic Mass: 0.7
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]+	170.117556	136.1
[M+Na]+	192.099498	140.1
[M-H]-	168.103004	131.4
[M+NH4]+	187.144103	159.6
[M+K]+	208.073438	139.2
[M+H-H2O]+	152.107540	131.1
[M+HCOO]-	214.108481	146.5
[M+CH3COO]-	228.124131	146.6
[M+Na-2H]-	190.084946	146.4
[M]+	169.10973142	137.3
[M]-	169.11082858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe