CID 2230

Arecoline

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN1CCC=C(C1)C(=O)OC

InChI

InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

InChIKey

HJJPJSXJAXAIPN-UHFFFAOYSA-N

Compound name

methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1196
References: 9589
Patents: 155.09464 Da
Monoisotopic Mass: 0.3
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]+	156.10192	132.3
[M+Na]+	178.08386	139.1
[M-H]-	154.08736	134.3
[M+NH4]+	173.12846	152.1
[M+K]+	194.05780	138.8
[M+H-H2O]+	138.09190	126.1
[M+HCOO]-	200.09284	152.7
[M+CH3COO]-	214.10849	176.1
[M+Na-2H]-	176.06931	137.2
[M]+	155.09409	131.4
[M]-	155.09519	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe