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

7
Annotation Hits: 1190
References: 7420
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	133.0
[M+Na]+	178.08386	144.3
[M+NH4]+	173.12846	141.0
[M+K]+	194.05780	139.0
[M-H]-	154.08736	133.9
[M+Na-2H]-	176.06931	138.2
[M]+	155.09409	134.7
[M]-	155.09519	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe