CID 83874327

6-acetylisoindolin-1-one

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC(=O)C1=CC2=C(CNC2=O)C=C1

InChI

InChI=1S/C10H9NO2/c1-6(12)7-2-3-8-5-11-10(13)9(8)4-7/h2-4H,5H2,1H3,(H,11,13)

InChIKey

BONOBVZICFQMKM-UHFFFAOYSA-N

Compound name

6-acetyl-2,3-dihydroisoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 175.06332 Da
Monoisotopic Mass: 0.5
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	136.3
[M+Na]+	198.05254	147.9
[M+NH4]+	193.09714	144.3
[M+K]+	214.02648	144.1
[M-H]-	174.05604	136.7
[M+Na-2H]-	196.03799	140.5
[M]+	175.06277	137.8
[M]-	175.06387	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe