CID 13031686

7-ethoxy-6-hydroxy-2h-1-benzopyran-2-one

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CCOC1=C(C=C2C=CC(=O)OC2=C1)O

InChI

InChI=1S/C11H10O4/c1-2-14-10-6-9-7(5-8(10)12)3-4-11(13)15-9/h3-6,12H,2H2,1H3

InChIKey

OCCRKOWLAVGGOA-UHFFFAOYSA-N

Compound name

7-ethoxy-6-hydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	139.4
[M+Na]+	229.04712	154.1
[M+NH4]+	224.09172	147.6
[M+K]+	245.02106	148.2
[M-H]-	205.05062	142.7
[M+Na-2H]-	227.03257	145.6
[M]+	206.05735	142.5
[M]-	206.05845	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe