CID 5276287

2-(2-hydroxyethoxy)-1-methyl-quinolin-4-one

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CN1C2=CC=CC=C2C(=O)C=C1OCCO

InChI

InChI=1S/C12H13NO3/c1-13-10-5-3-2-4-9(10)11(15)8-12(13)16-7-6-14/h2-5,8,14H,6-7H2,1H3

InChIKey

FFUGEDJCIYDBML-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)-1-methylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.08954 Da
Monoisotopic Mass: 1.2
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]+	220.096816	145.1
[M+Na]+	242.078758	155.2
[M-H]-	218.082264	147.6
[M+NH4]+	237.123363	163.2
[M+K]+	258.052698	151.8
[M+H-H2O]+	202.086800	138.4
[M+HCOO]-	264.087741	166.6
[M+CH3COO]-	278.103391	186.7
[M+Na-2H]-	240.064206	152.5
[M]+	219.08899142	148.3
[M]-	219.09008858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.