CID 21095

2-indolinone, 3-(2-aminoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)CCN

InChI

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

InChIKey

SZDFIVJGWVHZAV-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 30
Patents: 176.09496 Da
Monoisotopic Mass: 0.2
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]+	177.102236	136.9
[M+Na]+	199.084178	145.1
[M-H]-	175.087684	138.4
[M+NH4]+	194.128783	157.7
[M+K]+	215.058118	141.0
[M+H-H2O]+	159.092220	130.9
[M+HCOO]-	221.093161	158.4
[M+CH3COO]-	235.108811	179.7
[M+Na-2H]-	197.069626	141.8
[M]+	176.09441142	133.8
[M]-	176.09550858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe