CID 12208585

8-methoxy-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

CC1=C(NC2=C(C1=O)C=CC=C2OC)C(=O)O

InChI

InChI=1S/C12H11NO4/c1-6-9(12(15)16)13-10-7(11(6)14)4-3-5-8(10)17-2/h3-5H,1-2H3,(H,13,14)(H,15,16)

InChIKey

ZGNHIJVIWMQWPG-UHFFFAOYSA-N

Compound name

8-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.0688 Da
Monoisotopic Mass: 1.6
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]+	234.076076	147.1
[M+Na]+	256.058018	157.4
[M-H]-	232.061524	148.7
[M+NH4]+	251.102623	163.9
[M+K]+	272.031958	153.8
[M+H-H2O]+	216.066060	140.8
[M+HCOO]-	278.067001	166.3
[M+CH3COO]-	292.082651	187.9
[M+Na-2H]-	254.043466	152.1
[M]+	233.06825142	149.0
[M]-	233.06934858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe