CID 748410

Methyl [(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)oxy]acetate

Structural Information

Molecular Formula
C11H9NO5
SMILES
COC(=O)CON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO5/c1-16-9(13)6-17-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChIKey
MSKBUVDLWGTLAC-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

52
Patents

235.04807 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05535 145.7
[M+Na]+ 258.03729 155.5
[M-H]- 234.04079 149.6
[M+NH4]+ 253.08189 165.2
[M+K]+ 274.01123 154.1
[M+H-H2O]+ 218.04533 139.7
[M+HCOO]- 280.04627 168.2
[M+CH3COO]- 294.06192 189.3
[M+Na-2H]- 256.02274 149.7
[M]+ 235.04752 150.6
[M]- 235.04862 150.6
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