CID 520130

8-methoxycoumarin

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

COC1=CC=CC2=C1OC(=O)C=C2

InChI

InChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3

InChIKey

ODRDTKMYQDXVGG-UHFFFAOYSA-N

Compound name

8-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1695
Patents: 176.04735 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]+	177.05463	131.1
[M+Na]+	199.03657	146.8
[M+NH4]+	194.08117	140.6
[M+K]+	215.01051	140.1
[M-H]-	175.04007	135.5
[M+Na-2H]-	197.02202	139.0
[M]+	176.04680	134.8
[M]-	176.04790	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe