CID 2736461

26510-52-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3

InChIKey

FQHXWZMJALFSJJ-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-3-pyridin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 290
Patents: 193.0739 Da
Monoisotopic Mass: 1.3
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]+	194.08118	141.2
[M+Na]+	216.06312	152.7
[M+NH4]+	211.10772	147.9
[M+K]+	232.03706	147.6
[M-H]-	192.06662	141.2
[M+Na-2H]-	214.04857	146.9
[M]+	193.07335	142.5
[M]-	193.07445	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe