CID 14816728

4-aminomethyl-2(1h)-quinolinone

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

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

InChI

InChI=1S/C10H10N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6,11H2,(H,12,13)

InChIKey

RDXKAGOGKMCTBH-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 174.07932 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]+	175.08660	134.5
[M+Na]+	197.06854	148.3
[M+NH4]+	192.11314	143.2
[M+K]+	213.04248	141.3
[M-H]-	173.07204	137.1
[M+Na-2H]-	195.05399	141.7
[M]+	174.07877	137.1
[M]-	174.07987	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe