CID 11769097

7-methoxychroman-3-one

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC2=C(CC(=O)CO2)C=C1

InChI

InChI=1S/C10H10O3/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5H,4,6H2,1H3

InChIKey

FZNSDPYTCOXWSZ-UHFFFAOYSA-N

Compound name

7-methoxy-4H-chromen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 178.06299 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]+	179.07027	133.9
[M+Na]+	201.05221	147.7
[M+NH4]+	196.09681	143.2
[M+K]+	217.02615	141.4
[M-H]-	177.05571	137.9
[M+Na-2H]-	199.03766	139.9
[M]+	178.06244	137.0
[M]-	178.06354	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe