CID 59368602

Schembl3503003

Structural Information

Molecular Formula

C₁₁H₈ClNO₂

SMILES

COC(=O)C1=C2C=CC=NC2=C(C=C1)Cl

InChI

InChI=1S/C11H8ClNO2/c1-15-11(14)8-4-5-9(12)10-7(8)3-2-6-13-10/h2-6H,1H3

InChIKey

JPMMVGQFLLKKLI-UHFFFAOYSA-N

Compound name

methyl 8-chloroquinoline-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.02435 Da
Monoisotopic Mass: 3.1
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]+	222.03163	142.7
[M+Na]+	244.01357	158.5
[M+NH4]+	239.05817	151.9
[M+K]+	259.98751	150.9
[M-H]-	220.01707	145.2
[M+Na-2H]-	241.99902	150.5
[M]+	221.02380	146.1
[M]-	221.02490	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe