CID 395570

7-amino-4,6-dimethyl-2-quinolinol

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=CC2=C(C=C1N)NC(=O)C=C2C

InChI

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

InChIKey

ABQYXNJQAUIVJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
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]+	189.102236	139.2
[M+Na]+	211.084178	150.1
[M-H]-	187.087684	141.8
[M+NH4]+	206.128783	158.4
[M+K]+	227.058118	145.4
[M+H-H2O]+	171.092220	133.1
[M+HCOO]-	233.093161	161.0
[M+CH3COO]-	247.108811	185.1
[M+Na-2H]-	209.069626	145.6
[M]+	188.09441142	137.9
[M]-	188.09550858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe