CID 23112272

813424-02-1

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CN1C(=O)CCC2=C1C=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11NO3/c1-12-9-6-8(11(14)15)3-2-7(9)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,14,15)

InChIKey

VLPYYBGMMSTXGL-UHFFFAOYSA-N

Compound name

1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 205.0739 Da
Monoisotopic Mass: 0.8
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]+	206.08118	142.8
[M+Na]+	228.06312	155.2
[M+NH4]+	223.10772	150.4
[M+K]+	244.03706	149.9
[M-H]-	204.06662	143.6
[M+Na-2H]-	226.04857	147.2
[M]+	205.07335	144.6
[M]-	205.07445	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe