CID 76859

3339-73-9

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

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

InChI

InChI=1S/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)

InChIKey

DXXHRZUOTPMGEH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 490
Patents: 219.05316 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]+	220.06044	146.0
[M+Na]+	242.04238	156.7
[M+NH4]+	237.08698	152.4
[M+K]+	258.01632	154.0
[M-H]-	218.04588	145.1
[M+Na-2H]-	240.02783	148.6
[M]+	219.05261	146.8
[M]-	219.05371	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe