CID 748410

80733-98-8

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

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]+	236.05535	148.6
[M+Na]+	258.03729	159.4
[M+NH4]+	253.08189	154.8
[M+K]+	274.01123	156.9
[M-H]-	234.04079	147.8
[M+Na-2H]-	256.02274	151.4
[M]+	235.04752	149.5
[M]-	235.04862	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe