CID 599120

3-ethyl-2-methylquinolin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCC1=C(NC2=CC=CC=C2C1=O)C

InChI

InChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14)

InChIKey

UUDYPKCYYIOUJD-UHFFFAOYSA-N

Compound name

3-ethyl-2-methyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 187.09972 Da
Monoisotopic Mass: 2.7
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]+	188.106996	138.7
[M+Na]+	210.088938	149.0
[M-H]-	186.092444	141.2
[M+NH4]+	205.133543	158.3
[M+K]+	226.062878	144.4
[M+H-H2O]+	170.096980	132.5
[M+HCOO]-	232.097921	159.8
[M+CH3COO]-	246.113571	182.5
[M+Na-2H]-	208.074386	146.0
[M]+	187.09917142	139.0
[M]-	187.10026858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe