CID 66884863

109175-24-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN1CCC2=C(C1=O)C=C(C=C2)OC

InChI

InChI=1S/C11H13NO2/c1-12-6-5-8-3-4-9(14-2)7-10(8)11(12)13/h3-4,7H,5-6H2,1-2H3

InChIKey

OCVNSWAXMOKLCA-UHFFFAOYSA-N

Compound name

7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 191.09464 Da
Monoisotopic Mass: 1.4
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]+	192.10192	139.3
[M+Na]+	214.08386	148.3
[M-H]-	190.08736	142.6
[M+NH4]+	209.12846	159.1
[M+K]+	230.05780	145.9
[M+H-H2O]+	174.09190	132.7
[M+HCOO]-	236.09284	159.5
[M+CH3COO]-	250.10849	184.7
[M+Na-2H]-	212.06931	145.7
[M]+	191.09409	139.7
[M]-	191.09519	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe