CID 10726459

6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=C(C2=C(C=C1)C(=O)CO2)OC
InChI
InChI=1S/C10H10O4/c1-12-8-4-3-6-7(11)5-14-9(6)10(8)13-2/h3-4H,5H2,1-2H3
InChIKey
KZCXMVUPIHBDQP-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0579 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe