CID 12315236

138812-87-0

Structural Information

Molecular Formula
C13H14O5
SMILES
C1C2C(COC2O)C(O1)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2
InChIKey
DRUQKRWRXOUEGS-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 149.7
[M+Na]+ 273.07334 159.8
[M+NH4]+ 268.11794 158.3
[M+K]+ 289.04728 162.3
[M-H]- 249.07684 157.0
[M+Na-2H]- 271.05879 150.0
[M]+ 250.08357 153.1
[M]- 250.08467 153.1
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

No patent data available for this compound.