CID 22326942

28033-41-2

Structural Information

Molecular Formula
C9H8O3
SMILES
COC1=CC=CC2=C1OC(=O)C2
InChI
InChI=1S/C9H8O3/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-4H,5H2,1H3
InChIKey
BTOOVHBRBFRQNV-UHFFFAOYSA-N
Compound name
7-methoxy-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 128.6
[M+Na]+ 187.03657 138.6
[M-H]- 163.04007 134.5
[M+NH4]+ 182.08117 151.2
[M+K]+ 203.01051 138.1
[M+H-H2O]+ 147.04461 124.0
[M+HCOO]- 209.04555 152.4
[M+CH3COO]- 223.06120 176.5
[M+Na-2H]- 185.02202 136.3
[M]+ 164.04680 131.7
[M]- 164.04790 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe