CID 54716827

55004-81-4

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CCOC1=CC2=C(C=C1)C(=CC(=O)O2)O

InChI

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

InChIKey

BPWIJZQVCZRWTJ-UHFFFAOYSA-N

Compound name

7-ethoxy-4-hydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.0579 Da
Monoisotopic Mass: 1.6
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]+	207.065176	138.5
[M+Na]+	229.047118	149.0
[M-H]-	205.050624	143.4
[M+NH4]+	224.091723	157.2
[M+K]+	245.021058	147.7
[M+H-H2O]+	189.055160	132.7
[M+HCOO]-	251.056101	161.0
[M+CH3COO]-	265.071751	183.2
[M+Na-2H]-	227.032566	147.4
[M]+	206.05735142	143.0
[M]-	206.05844858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe