CID 43446541

233775-33-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CCN1C(=O)CCC2=C1C=CC(=C2)N

InChI

InChI=1S/C11H14N2O/c1-2-13-10-5-4-9(12)7-8(10)3-6-11(13)14/h4-5,7H,2-3,6,12H2,1H3

InChIKey

JJLRYSSROUZRMM-UHFFFAOYSA-N

Compound name

6-amino-1-ethyl-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 190.11061 Da
Monoisotopic Mass: 0.9
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]+	191.117886	141.0
[M+Na]+	213.099828	149.3
[M-H]-	189.103334	143.8
[M+NH4]+	208.144433	160.3
[M+K]+	229.073768	145.8
[M+H-H2O]+	173.107870	134.3
[M+HCOO]-	235.108811	161.4
[M+CH3COO]-	249.124461	186.9
[M+Na-2H]-	211.085276	146.7
[M]+	190.11006142	138.3
[M]-	190.11115858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe