CID 5148061

39226-87-4

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC(C2=C(C1)NC(=O)C=C2)N

InChI

InChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)

InChIKey

CEXVAVXEVFFVEE-UHFFFAOYSA-N

Compound name

5-amino-5,6,7,8-tetrahydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 164.09496 Da
Monoisotopic Mass: -0.6
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]+	165.10224	132.5
[M+Na]+	187.08418	140.3
[M-H]-	163.08768	133.8
[M+NH4]+	182.12878	151.9
[M+K]+	203.05812	136.4
[M+H-H2O]+	147.09222	126.3
[M+HCOO]-	209.09316	152.1
[M+CH3COO]-	223.10881	177.2
[M+Na-2H]-	185.06963	139.5
[M]+	164.09441	126.8
[M]-	164.09551	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe