CID 15507355

7-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=CC2=C(CCNC2=O)C=C1

InChI

InChI=1S/C10H11NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-3,6H,4-5H2,1H3,(H,11,12)

InChIKey

WVWNQPALSDVRTJ-UHFFFAOYSA-N

Compound name

7-methyl-3,4-dihydro-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 129
Patents: 161.08406 Da
Monoisotopic Mass: 1.6
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]+	162.09134	132.4
[M+Na]+	184.07328	140.5
[M-H]-	160.07678	134.2
[M+NH4]+	179.11788	152.4
[M+K]+	200.04722	136.9
[M+H-H2O]+	144.08132	126.3
[M+HCOO]-	206.08226	151.3
[M+CH3COO]-	220.09791	175.9
[M+Na-2H]-	182.05873	139.5
[M]+	161.08351	128.7
[M]-	161.08461	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe