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]+	206.117556	143.6
[M+Na]+	228.099498	153.1
[M-H]-	204.103004	147.2
[M+NH4]+	223.144103	163.2
[M+K]+	244.073438	150.5
[M+H-H2O]+	188.107540	137.1
[M+HCOO]-	250.108481	163.5
[M+CH3COO]-	264.124131	189.0
[M+Na-2H]-	226.084946	148.7
[M]+	205.10973142	144.8
[M]-	205.11082858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe