CID 2733541

16806-93-2

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1CC2=C(C=CO2)C(=O)C1

InChI

InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2

InChIKey

DXWQOYPYNPSVRL-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-1-benzofuran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 498
Patents: 136.05243 Da
Monoisotopic Mass: 1.1
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]+	137.05971	124.3
[M+Na]+	159.04165	136.5
[M+NH4]+	154.08625	134.1
[M+K]+	175.01559	132.3
[M-H]-	135.04515	127.8
[M+Na-2H]-	157.02710	129.5
[M]+	136.05188	126.9
[M]-	136.05298	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe