CID 304612

32932-14-2

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

CCN1C=C(C(=O)C2=C1C(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C13H13NO4/c1-3-14-7-9(13(16)17)12(15)8-5-4-6-10(18-2)11(8)14/h4-7H,3H2,1-2H3,(H,16,17)

InChIKey

CIAVNLVPVOWGGX-UHFFFAOYSA-N

Compound name

1-ethyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.08446 Da
Monoisotopic Mass: 2.3
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]+	248.091736	151.0
[M+Na]+	270.073678	161.3
[M-H]-	246.077184	153.8
[M+NH4]+	265.118283	167.9
[M+K]+	286.047618	158.4
[M+H-H2O]+	230.081720	144.3
[M+HCOO]-	292.082661	171.4
[M+CH3COO]-	306.098311	193.3
[M+Na-2H]-	268.059126	156.0
[M]+	247.08391142	155.1
[M]-	247.08500858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe