CID 14248870

5-chloro-6-methoxy-2-methylquinoline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CC1=NC2=C(C=C1)C(=C(C=C2)OC)Cl

InChI

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

InChIKey

RURKYENOQRQKHH-UHFFFAOYSA-N

Compound name

5-chloro-6-methoxy-2-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.04509 Da
Monoisotopic Mass: 3.2
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]+	208.05237	140.3
[M+Na]+	230.03431	152.0
[M-H]-	206.03781	144.1
[M+NH4]+	225.07891	160.7
[M+K]+	246.00825	147.4
[M+H-H2O]+	190.04235	134.5
[M+HCOO]-	252.04329	158.4
[M+CH3COO]-	266.05894	186.6
[M+Na-2H]-	228.01976	148.2
[M]+	207.04454	144.9
[M]-	207.04564	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe