CID 74401

Ethyl 2-methylnicotinate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCOC(=O)C1=C(N=CC=C1)C

InChI

InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3

InChIKey

TZORNSWZUZDUCU-UHFFFAOYSA-N

Compound name

ethyl 2-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 554
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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]+	166.08626	134.1
[M+Na]+	188.06820	147.1
[M+NH4]+	183.11280	142.1
[M+K]+	204.04214	141.2
[M-H]-	164.07170	135.3
[M+Na-2H]-	186.05365	140.9
[M]+	165.07843	136.2
[M]-	165.07953	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe