CID 58522544

7-hydroxy-2-methylisoindolin-1-one

Structural Information

Molecular Formula

SMILES

CN1CC2=C(C1=O)C(=CC=C2)O

InChI

InChI=1S/C9H9NO2/c1-10-5-6-3-2-4-7(11)8(6)9(10)12/h2-4,11H,5H2,1H3

InChIKey

YQIQCEXITGSZDR-UHFFFAOYSA-N

Compound name

7-hydroxy-2-methyl-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 163.06332 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]+	164.07060	132.1
[M+Na]+	186.05254	144.6
[M+NH4]+	181.09714	140.7
[M+K]+	202.02648	140.5
[M-H]-	162.05604	133.1
[M+Na-2H]-	184.03799	136.8
[M]+	163.06277	134.0
[M]-	163.06387	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe