CID 19867725

120689-99-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=CC(=CC2=C1NC(=O)C=C2C)N

InChI

InChI=1S/C11H12N2O/c1-6-4-10(14)13-11-7(2)3-8(12)5-9(6)11/h3-5H,12H2,1-2H3,(H,13,14)

InChIKey

VQNWIKJTUVWIFE-UHFFFAOYSA-N

Compound name

6-amino-4,8-dimethyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 188.09496 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]+	189.10224	139.2
[M+Na]+	211.08418	150.1
[M-H]-	187.08768	141.8
[M+NH4]+	206.12878	158.4
[M+K]+	227.05812	145.4
[M+H-H2O]+	171.09222	133.1
[M+HCOO]-	233.09316	161.0
[M+CH3COO]-	247.10881	185.1
[M+Na-2H]-	209.06963	145.6
[M]+	188.09441	137.9
[M]-	188.09551	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe