CID 40462

Methyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN1CCC(=CC1)C(=O)OC

InChI

InChI=1S/C8H13NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h3H,4-6H2,1-2H3

InChIKey

SVXZBICQLNEMLC-UHFFFAOYSA-N

Compound name

methyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 95
Patents: 155.09464 Da
Monoisotopic Mass: 0.5
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]+	156.101916	132.3
[M+Na]+	178.083858	139.1
[M-H]-	154.087364	134.3
[M+NH4]+	173.128463	152.1
[M+K]+	194.057798	138.8
[M+H-H2O]+	138.091900	126.1
[M+HCOO]-	200.092841	152.7
[M+CH3COO]-	214.108491	176.1
[M+Na-2H]-	176.069306	137.2
[M]+	155.09409142	131.4
[M]-	155.09518858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe