CID 564597

39640-51-2

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCOC(=O)C1=CC=CC(=N1)C

InChI

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

InChIKey

FMSXHQBTRLUYHP-UHFFFAOYSA-N

Compound name

ethyl 6-methylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 165.07898 Da
Monoisotopic Mass: 1.8
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