CID 278066

2-methoxyisoindoline-1,3-dione

Structural Information

Molecular Formula
C9H7NO3
SMILES
CON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
VTULOVFSIMMKKO-UHFFFAOYSA-N
Compound name
2-methoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

276
Patents

177.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 131.9
[M+Na]+ 200.031808 142.9
[M-H]- 176.035314 136.1
[M+NH4]+ 195.076413 154.1
[M+K]+ 216.005748 140.9
[M+H-H2O]+ 160.039850 126.4
[M+HCOO]- 222.040791 155.5
[M+CH3COO]- 236.056441 179.5
[M+Na-2H]- 198.017256 137.9
[M]+ 177.04204142 134.6
[M]- 177.04313858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe