CID 11412963

4945-20-4

Structural Information

Molecular Formula

C₁₁H₅NO₃

SMILES

C1=CC=C2C(=C1)C3=C(C=N2)C(=O)OC3=O

InChI

InChI=1S/C11H5NO3/c13-10-7-5-12-8-4-2-1-3-6(8)9(7)11(14)15-10/h1-5H

InChIKey

HHSFODPMAPTFQF-UHFFFAOYSA-N

Compound name

furo[3,4-c]quinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.02695 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]+	200.03423	136.0
[M+Na]+	222.01617	147.7
[M-H]-	198.01967	141.8
[M+NH4]+	217.06077	156.9
[M+K]+	237.99011	145.3
[M+H-H2O]+	182.02421	130.1
[M+HCOO]-	244.02515	157.8
[M+CH3COO]-	258.04080	150.9
[M+Na-2H]-	220.00162	144.4
[M]+	199.02640	138.8
[M]-	199.02750	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe