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 150.1
[M+Na]+ 273.07334 157.8
[M-H]- 249.07684 160.0
[M+NH4]+ 268.11794 168.4
[M+K]+ 289.04728 159.6
[M+H-H2O]+ 233.08138 148.9
[M+HCOO]- 295.08232 166.5
[M+CH3COO]- 309.09797 163.5
[M+Na-2H]- 271.05879 153.1
[M]+ 250.08357 152.4
[M]- 250.08467 152.4
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.