CID 83636605

1425927-75-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=CC2=C(C=CC(=C2)N)N(C1=O)C

InChI

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

InChIKey

FSPMDZJWOCCHDG-UHFFFAOYSA-N

Compound name

6-amino-1,3-dimethylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 188.09496 Da
Monoisotopic Mass: 1.2
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]+	189.102236	138.5
[M+Na]+	211.084178	149.8
[M-H]-	187.087684	142.5
[M+NH4]+	206.128783	158.5
[M+K]+	227.058118	146.0
[M+H-H2O]+	171.092220	132.2
[M+HCOO]-	233.093161	161.9
[M+CH3COO]-	247.108811	187.5
[M+Na-2H]-	209.069626	145.5
[M]+	188.09441142	139.1
[M]-	188.09550858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe