CID 3021227

88349-61-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-3-14-8-11(9(2)13)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3

InChIKey

IATKKGJZTHMRBF-UHFFFAOYSA-N

Compound name

4-ethoxy-3-pyridin-4-ylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 191.09464 Da
Monoisotopic Mass: 1.1
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]+	192.101916	141.9
[M+Na]+	214.083858	148.6
[M-H]-	190.087364	143.9
[M+NH4]+	209.128463	159.9
[M+K]+	230.057798	146.9
[M+H-H2O]+	174.091900	135.0
[M+HCOO]-	236.092841	163.4
[M+CH3COO]-	250.108491	183.3
[M+Na-2H]-	212.069306	146.7
[M]+	191.09409142	143.2
[M]-	191.09518858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe