CID 89883

6-ethoxyquinoline

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CCOC1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C11H11NO/c1-2-13-10-5-6-11-9(8-10)4-3-7-12-11/h3-8H,2H2,1H3

InChIKey

AJAKVPMSAABZRX-UHFFFAOYSA-N

Compound name

6-ethoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 945
Patents: 173.08406 Da
Monoisotopic Mass: 2.6
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]+	174.091336	134.6
[M+Na]+	196.073278	143.6
[M-H]-	172.076784	138.0
[M+NH4]+	191.117883	154.9
[M+K]+	212.047218	140.8
[M+H-H2O]+	156.081320	127.8
[M+HCOO]-	218.082261	157.4
[M+CH3COO]-	232.097911	180.6
[M+Na-2H]-	194.058726	144.5
[M]+	173.08351142	136.4
[M]-	173.08460858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe