CID 10798994

134724-87-1

Structural Information

Molecular Formula

C₁₀H₇NO₅

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)OCC(=O)O

InChI

InChI=1S/C10H7NO5/c12-8(13)5-16-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)

InChIKey

STDDDVARCIVORC-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 221.03242 Da
Monoisotopic Mass: 1.0
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]+	222.03970	144.5
[M+Na]+	244.02164	155.0
[M+NH4]+	239.06624	150.5
[M+K]+	259.99558	153.0
[M-H]-	220.02514	143.2
[M+Na-2H]-	242.00709	146.9
[M]+	221.03187	145.1
[M]-	221.03297	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe