CID 220876

Ethyl 4-hydroxyquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CCOC(=O)C1=CNC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14/h3-7H,2H2,1H3,(H,13,14)

InChIKey

YBEOYBKKSWUSBR-UHFFFAOYSA-N

Compound name

ethyl 4-oxo-1H-quinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 912
Patents: 217.0739 Da
Monoisotopic Mass: 2.0
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]+	218.08118	144.3
[M+Na]+	240.06312	153.5
[M-H]-	216.06662	146.6
[M+NH4]+	235.10772	162.1
[M+K]+	256.03706	150.0
[M+H-H2O]+	200.07116	137.6
[M+HCOO]-	262.07210	165.0
[M+CH3COO]-	276.08775	184.9
[M+Na-2H]-	238.04857	151.2
[M]+	217.07335	145.7
[M]-	217.07445	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe