CID 1275343

30250-67-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

FISUQCYYLJGIIU-UHFFFAOYSA-N

Compound name

2-(2-aminoethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 183
Patents: 190.07423 Da
Monoisotopic Mass: 0.5
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	139.5
[M+Na]+	213.06345	150.8
[M+NH4]+	208.10805	147.3
[M+K]+	229.03739	146.8
[M-H]-	189.06695	140.8
[M+Na-2H]-	211.04890	143.7
[M]+	190.07368	141.1
[M]-	190.07478	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe