CID 11672718

4-methoxyisoindolin-1-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=CC=CC2=C1CNC2=O
InChI
InChI=1S/C9H9NO2/c1-12-8-4-2-3-6-7(8)5-10-9(6)11/h2-4H,5H2,1H3,(H,10,11)
InChIKey
ONNGVKRXGAJQKC-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.4
[M+Na]+ 186.05254 144.5
[M+NH4]+ 181.09714 141.0
[M+K]+ 202.02648 140.3
[M-H]- 162.05604 133.3
[M+Na-2H]- 184.03799 137.3
[M]+ 163.06277 134.2
[M]- 163.06387 134.2
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

patents stripe