CID 13224

8-hydroxyquinaldine

Structural Information

Molecular Formula

SMILES

CC1=NC2=C(C=CC=C2O)C=C1

InChI

InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3

InChIKey

NBYLBWHHTUWMER-UHFFFAOYSA-N

Compound name

2-methylquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 87
References: 4728
Patents: 159.06842 Da
Monoisotopic Mass: 2.3
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]+	160.07570	130.8
[M+Na]+	182.05764	146.2
[M+NH4]+	177.10224	140.5
[M+K]+	198.03158	138.7
[M-H]-	158.06114	133.7
[M+Na-2H]-	180.04309	139.0
[M]+	159.06787	133.9
[M]-	159.06897	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe