CID 12464023

68882-86-0

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC(=O)C1=CC2=C(C=C1)NC(=O)C=C2

InChI

InChI=1S/C11H9NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2-6H,1H3,(H,12,13)

InChIKey

TXNYDEDEWIEXSZ-UHFFFAOYSA-N

Compound name

methyl 2-oxo-1H-quinoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 203.05824 Da
Monoisotopic Mass: 1.1
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]+	204.06552	140.7
[M+Na]+	226.04746	154.7
[M+NH4]+	221.09206	148.4
[M+K]+	242.02140	148.7
[M-H]-	202.05096	141.8
[M+Na-2H]-	224.03291	147.1
[M]+	203.05769	142.9
[M]-	203.05879	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe