CID 15627934

Buntansin a

Structural Information

Molecular Formula

C₁₁H₈O₅

SMILES

COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O

InChI

InChI=1S/C11H8O5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3,(H,13,14)

InChIKey

GQYZDAIERJIQDI-UHFFFAOYSA-N

Compound name

7-methoxy-2-oxochromene-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.03717 Da
Monoisotopic Mass: 1.4
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]+	221.04445	141.6
[M+Na]+	243.02639	155.5
[M+NH4]+	238.07099	148.9
[M+K]+	259.00033	150.9
[M-H]-	219.02989	143.9
[M+Na-2H]-	241.01184	146.9
[M]+	220.03662	144.2
[M]-	220.03772	144.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.