CID 928820

118313-35-2

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

COC1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6H,1H3,(H,11,12)

InChIKey

JTIMZAUBSBUCNK-UHFFFAOYSA-N

Compound name

5-methoxy-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 175.06332 Da
Monoisotopic Mass: 1.3
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]+	176.07060	133.7
[M+Na]+	198.05254	148.7
[M+NH4]+	193.09714	142.6
[M+K]+	214.02648	141.6
[M-H]-	174.05604	135.8
[M+Na-2H]-	196.03799	141.3
[M]+	175.06277	136.5
[M]-	175.06387	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe