CID 103761

53207-51-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1CN(C2=C(C1=O)C=CC(=C2)OC)C

InChI

InChI=1S/C12H15NO2/c1-8-7-13(2)11-6-9(15-3)4-5-10(11)12(8)14/h4-6,8H,7H2,1-3H3

InChIKey

RJNBGHNHTZUKQP-UHFFFAOYSA-N

Compound name

7-methoxy-1,3-dimethyl-2,3-dihydroquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.11028 Da
Monoisotopic Mass: 2.1
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]+	206.11756	144.5
[M+Na]+	228.09950	158.5
[M+NH4]+	223.14410	153.3
[M+K]+	244.07344	151.5
[M-H]-	204.10300	146.8
[M+Na-2H]-	226.08495	149.9
[M]+	205.10973	147.1
[M]-	205.11083	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe