CID 585368

6-methoxy-3(2h)-benzofuranone

Structural Information

Molecular Formula
C9H8O3
SMILES
COC1=CC2=C(C=C1)C(=O)CO2
InChI
InChI=1S/C9H8O3/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-4H,5H2,1H3
InChIKey
BLLMRPOVMOPQKC-UHFFFAOYSA-N
Compound name
6-methoxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

164.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe