CID 230460

5,6-dimethoxyisobenzofuran-1(3h)-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

173
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 135.8
[M+Na]+ 217.04712 146.1
[M-H]- 193.05062 141.9
[M+NH4]+ 212.09172 157.4
[M+K]+ 233.02106 146.0
[M+H-H2O]+ 177.05516 131.1
[M+HCOO]- 239.05610 159.4
[M+CH3COO]- 253.07175 182.9
[M+Na-2H]- 215.03257 142.4
[M]+ 194.05735 141.1
[M]- 194.05845 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