CID 7131158

203252-52-2

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)C=NN2CC(=O)O

InChI

InChI=1S/C10H8N2O3/c13-9-5-11-12(6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15)

InChIKey

LIHJDBHWCADCDH-UHFFFAOYSA-N

Compound name

2-(4-oxocinnolin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 204.0535 Da
Monoisotopic Mass: 1.0
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]+	205.06078	139.8
[M+Na]+	227.04272	149.8
[M-H]-	203.04622	140.9
[M+NH4]+	222.08732	156.6
[M+K]+	243.01666	146.5
[M+H-H2O]+	187.05076	132.5
[M+HCOO]-	249.05170	159.8
[M+CH3COO]-	263.06735	182.4
[M+Na-2H]-	225.02817	147.8
[M]+	204.05295	141.1
[M]-	204.05405	141.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.