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]+ 165.054626 128.6
[M+Na]+ 187.036568 138.6
[M-H]- 163.040074 134.5
[M+NH4]+ 182.081173 151.2
[M+K]+ 203.010508 138.1
[M+H-H2O]+ 147.044610 124.0
[M+HCOO]- 209.045551 152.4
[M+CH3COO]- 223.061201 176.5
[M+Na-2H]- 185.022016 136.3
[M]+ 164.04680142 131.7
[M]- 164.04789858 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