CID 3350628

8-ethyl-4-quinolinol

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CCC1=C2C(=CC=C1)C(=O)C=CN2

InChI

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

InChIKey

YBQQVKSIRLQGQW-UHFFFAOYSA-N

Compound name

8-ethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 173.08406 Da
Monoisotopic Mass: 2.4
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]+	174.09134	134.2
[M+Na]+	196.07328	144.0
[M-H]-	172.07678	136.5
[M+NH4]+	191.11788	154.0
[M+K]+	212.04722	139.7
[M+H-H2O]+	156.08132	128.0
[M+HCOO]-	218.08226	155.6
[M+CH3COO]-	232.09791	178.3
[M+Na-2H]-	194.05873	142.8
[M]+	173.08351	133.8
[M]-	173.08461	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe