CID 10106704

34435-60-4

Structural Information

Molecular Formula

C₁₃H₁₁NO₅

SMILES

CN1C=C(C(=O)C2=C1C=CC3=C2COCO3)C(=O)O

InChI

InChI=1S/C13H11NO5/c1-14-4-7(13(16)17)12(15)11-8-5-18-6-19-10(8)3-2-9(11)14/h2-4H,5-6H2,1H3,(H,16,17)

InChIKey

DVNWZDISVTYKOF-UHFFFAOYSA-N

Compound name

7-methyl-10-oxo-1H-[1,3]dioxino[5,4-f]quinoline-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.06372 Da
Monoisotopic Mass: 1.5
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]+	262.070996	153.1
[M+Na]+	284.052938	162.8
[M-H]-	260.056444	157.7
[M+NH4]+	279.097543	167.3
[M+K]+	300.026878	162.1
[M+H-H2O]+	244.060980	145.7
[M+HCOO]-	306.061921	168.6
[M+CH3COO]-	320.077571	194.9
[M+Na-2H]-	282.038386	160.6
[M]+	261.06317142	155.8
[M]-	261.06426858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.