CID 207809

30831-69-7

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CCOC(=O)N1C(=O)C=CC2=CC=CC=C21

InChI

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

InChIKey

BHYKHYYQPFOAPJ-UHFFFAOYSA-N

Compound name

ethyl 2-oxoquinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	143.9
[M+Na]+	240.06312	153.6
[M-H]-	216.06662	147.7
[M+NH4]+	235.10772	162.5
[M+K]+	256.03706	151.0
[M+H-H2O]+	200.07116	136.9
[M+HCOO]-	262.07210	166.2
[M+CH3COO]-	276.08775	186.8
[M+Na-2H]-	238.04857	151.3
[M]+	217.07335	147.1
[M]-	217.07445	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe