CID 230460

5,6-dimethoxy-3h-isobenzofuran-1-one

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=C(C=C2C(=C1)COC2=O)OC
InChI
InChI=1S/C10H10O4/c1-12-8-3-6-5-14-10(11)7(6)4-9(8)13-2/h3-4H,5H2,1-2H3
InChIKey
UKFAWRZYFYOXEG-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

206
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 135.8
[M+Na]+ 217.047118 146.1
[M-H]- 193.050624 141.9
[M+NH4]+ 212.091723 157.4
[M+K]+ 233.021058 146.0
[M+H-H2O]+ 177.055160 131.1
[M+HCOO]- 239.056101 159.4
[M+CH3COO]- 253.071751 182.9
[M+Na-2H]- 215.032566 142.4
[M]+ 194.05735142 141.1
[M]- 194.05844858 141.1
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