CID 349017

4122-57-0

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

COC1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C9H8O3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5,9H,1H3

InChIKey

OIIJJGAFRGJQSQ-UHFFFAOYSA-N

Compound name

3-methoxy-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 164.04735 Da
Monoisotopic Mass: 1.0
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]+	165.05463	129.8
[M+Na]+	187.03657	142.6
[M+NH4]+	182.08117	139.0
[M+K]+	203.01051	138.7
[M-H]-	163.04007	133.0
[M+Na-2H]-	185.02202	135.0
[M]+	164.04680	132.5
[M]-	164.04790	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe