CID 66961090

1267663-33-1

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CN1C=CC2=C(C1=O)C=CC(=C2)O

InChI

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

InChIKey

SLHQPFQVVOCOIW-UHFFFAOYSA-N

Compound name

6-hydroxy-2-methylisoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 175.06332 Da
Monoisotopic Mass: 1.2
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	132.6
[M+Na]+	198.05254	143.7
[M-H]-	174.05604	135.5
[M+NH4]+	193.09714	152.6
[M+K]+	214.02648	140.2
[M+H-H2O]+	158.06058	126.6
[M+HCOO]-	220.06152	154.6
[M+CH3COO]-	234.07717	178.5
[M+Na-2H]-	196.03799	141.1
[M]+	175.06277	133.7
[M]-	175.06387	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe