CID 161760

32856-49-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1C(C(=O)NC1=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H10N2O2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5,11H2,(H,12,13,14)

InChIKey

AFLGSUFOCCZEEZ-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3
Patents: 190.07423 Da
Monoisotopic Mass: 0.0
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]+	191.08151	140.8
[M+Na]+	213.06345	151.5
[M+NH4]+	208.10805	148.1
[M+K]+	229.03739	148.1
[M-H]-	189.06695	143.0
[M+Na-2H]-	211.04890	146.1
[M]+	190.07368	142.5
[M]-	190.07478	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe