CID 3087495

3-pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-ethyl-, methyl ester, hydrochloride

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCN1CCC=C(C1)C(=O)OC

InChI

InChI=1S/C9H15NO2/c1-3-10-6-4-5-8(7-10)9(11)12-2/h5H,3-4,6-7H2,1-2H3

InChIKey

FOXLOWZDGBHOPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	170.11756	137.5
[M+Na]+	192.09950	148.6
[M+NH4]+	187.14410	145.3
[M+K]+	208.07344	143.0
[M-H]-	168.10300	138.3
[M+Na-2H]-	190.08495	142.4
[M]+	169.10973	139.1
[M]-	169.11083	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe