CID 181620

Chromone-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O

InChI

InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)

InChIKey

PCIITXGDSHXTSN-UHFFFAOYSA-N

Compound name

4-oxochromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 257
Patents: 190.02661 Da
Monoisotopic Mass: 1.8
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]+	191.03389	134.2
[M+Na]+	213.01583	148.5
[M+NH4]+	208.06043	142.2
[M+K]+	228.98977	143.4
[M-H]-	189.01933	137.0
[M+Na-2H]-	211.00128	140.5
[M]+	190.02606	137.0
[M]-	190.02716	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe