CID 70701191

4-acetylisoindolin-1-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC(=O)C1=CC=CC2=C1CNC2=O
InChI
InChI=1S/C10H9NO2/c1-6(12)7-3-2-4-8-9(7)5-11-10(8)13/h2-4H,5H2,1H3,(H,11,13)
InChIKey
INJGIFKZMOGGPT-UHFFFAOYSA-N
Compound name
4-acetyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 135.3
[M+Na]+ 198.05254 144.3
[M-H]- 174.05604 137.5
[M+NH4]+ 193.09714 156.5
[M+K]+ 214.02648 141.0
[M+H-H2O]+ 158.06058 129.8
[M+HCOO]- 220.06152 155.8
[M+CH3COO]- 234.07717 177.5
[M+Na-2H]- 196.03799 139.6
[M]+ 175.06277 133.9
[M]- 175.06387 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.