CID 2796676

5-chloro-4-hydroxy-8-methylquinaldine

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CC1=C2C(=C(C=C1)Cl)C(=O)C=C(N2)C

InChI

InChI=1S/C11H10ClNO/c1-6-3-4-8(12)10-9(14)5-7(2)13-11(6)10/h3-5H,1-2H3,(H,13,14)

InChIKey

PCKJRUQECXKAOB-UHFFFAOYSA-N

Compound name

5-chloro-2,8-dimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.04509 Da
Monoisotopic Mass: 2.9
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]+	208.052366	139.8
[M+Na]+	230.034308	152.3
[M-H]-	206.037814	142.7
[M+NH4]+	225.078913	159.7
[M+K]+	246.008248	146.2
[M+H-H2O]+	190.042350	134.7
[M+HCOO]-	252.043291	156.6
[M+CH3COO]-	266.058941	184.5
[M+Na-2H]-	228.019756	146.5
[M]+	207.04454142	142.2
[M]-	207.04563858	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.