CID 22692470

5-amino-1-methyl-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CN1C(=O)CC2=C1C=CC(=C2)N

InChI

InChI=1S/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3

InChIKey

ZGLUKQQSWABKDH-UHFFFAOYSA-N

Compound name

5-amino-1-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 400
Patents: 162.07932 Da
Monoisotopic Mass: 0.3
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]+	163.08660	132.4
[M+Na]+	185.06854	144.3
[M+NH4]+	180.11314	141.2
[M+K]+	201.04248	140.1
[M-H]-	161.07204	134.5
[M+Na-2H]-	183.05399	137.4
[M]+	162.07877	134.4
[M]-	162.07987	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe