CID 114297

1-ethyl-6-methoxy-2-quinolinone

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCN1C2=C(C=CC1=O)C=C(C=C2)OC

InChI

InChI=1S/C12H13NO2/c1-3-13-11-6-5-10(15-2)8-9(11)4-7-12(13)14/h4-8H,3H2,1-2H3

InChIKey

WKVCBZANWYZBAS-UHFFFAOYSA-N

Compound name

1-ethyl-6-methoxyquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 203.09464 Da
Monoisotopic Mass: 1.9
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]+	204.10192	141.3
[M+Na]+	226.08386	152.0
[M-H]-	202.08736	145.3
[M+NH4]+	221.12846	160.9
[M+K]+	242.05780	148.9
[M+H-H2O]+	186.09190	134.6
[M+HCOO]-	248.09284	164.1
[M+CH3COO]-	262.10849	187.2
[M+Na-2H]-	224.06931	149.2
[M]+	203.09409	145.0
[M]-	203.09519	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe