CID 11412695

8-methoxychroman-3-one

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC=CC2=C1OCC(=O)C2

InChI

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

InChIKey

HHEBBHNRCWBWFR-UHFFFAOYSA-N

Compound name

8-methoxy-4H-chromen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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