CID 8417

Scoparone

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC1=C(C=C2C(=C1)C=CC(=O)O2)OC

InChI

InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3

InChIKey

GUAFOGOEJLSQBT-UHFFFAOYSA-N

Compound name

6,7-dimethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 245
References: 838
Patents: 206.0579 Da
Monoisotopic Mass: 1.9
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]+	207.06518	138.7
[M+Na]+	229.04712	154.0
[M+NH4]+	224.09172	147.3
[M+K]+	245.02106	147.8
[M-H]-	205.05062	142.6
[M+Na-2H]-	227.03257	145.6
[M]+	206.05735	142.1
[M]-	206.05845	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe