CID 721192

6-ethoxy-4-quinolinol

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CCOC1=CC2=C(C=C1)NC=CC2=O

InChI

InChI=1S/C11H11NO2/c1-2-14-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)

InChIKey

SIECPAIJDHEXAF-UHFFFAOYSA-N

Compound name

6-ethoxy-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 189.07898 Da
Monoisotopic Mass: 0.9
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]+	190.086256	137.5
[M+Na]+	212.068198	147.2
[M-H]-	188.071704	139.8
[M+NH4]+	207.112803	156.6
[M+K]+	228.042138	143.4
[M+H-H2O]+	172.076240	131.0
[M+HCOO]-	234.077181	159.1
[M+CH3COO]-	248.092831	180.4
[M+Na-2H]-	210.053646	146.1
[M]+	189.07843142	138.5
[M]-	189.07952858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe