CID 273542

Nsc118829

Structural Information

Molecular Formula
C12H12O5
SMILES
COC1=CC2=C(C3CC(=O)OC3O2)C(=C1)OC
InChI
InChI=1S/C12H12O5/c1-14-6-3-8(15-2)11-7-5-10(13)17-12(7)16-9(11)4-6/h3-4,7,12H,5H2,1-2H3
InChIKey
WEMBJULXMKZRNL-UHFFFAOYSA-N
Compound name
6,8-dimethoxy-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 146.3
[M+Na]+ 259.05769 156.7
[M-H]- 235.06119 153.9
[M+NH4]+ 254.10229 167.7
[M+K]+ 275.03163 157.2
[M+H-H2O]+ 219.06573 143.0
[M+HCOO]- 281.06667 167.4
[M+CH3COO]- 295.08232 190.9
[M+Na-2H]- 257.04314 151.3
[M]+ 236.06792 152.9
[M]- 236.06902 152.9
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

No patent data available for this compound.