CID 66681654

1239768-83-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1=CC(=CC2=C1NC(=O)CC2)O

InChI

InChI=1S/C10H11NO2/c1-6-4-8(12)5-7-2-3-9(13)11-10(6)7/h4-5,12H,2-3H2,1H3,(H,11,13)

InChIKey

KNEMDRZCNPEHJN-UHFFFAOYSA-N

Compound name

6-hydroxy-8-methyl-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 177.07898 Da
Monoisotopic Mass: 1.1
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]+	178.086256	136.1
[M+Na]+	200.068198	144.7
[M-H]-	176.071704	136.9
[M+NH4]+	195.112803	155.1
[M+K]+	216.042138	140.7
[M+H-H2O]+	160.076240	130.4
[M+HCOO]-	222.077181	153.7
[M+CH3COO]-	236.092831	176.7
[M+Na-2H]-	198.053646	142.1
[M]+	177.07843142	132.5
[M]-	177.07952858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe