CID 17599849

2-(2-aminoethyl)isoindolin-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1C2=CC=CC=C2C(=O)N1CCN

InChI

InChI=1S/C10H12N2O/c11-5-6-12-7-8-3-1-2-4-9(8)10(12)13/h1-4H,5-7,11H2

InChIKey

TTYAQAZCLSOPRX-UHFFFAOYSA-N

Compound name

2-(2-aminoethyl)-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 176.09496 Da
Monoisotopic Mass: 0.1
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]+	177.10224	137.1
[M+Na]+	199.08418	148.4
[M+NH4]+	194.12878	145.8
[M+K]+	215.05812	143.8
[M-H]-	175.08768	139.1
[M+Na-2H]-	197.06963	142.1
[M]+	176.09441	139.0
[M]-	176.09551	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe