CID 131751755

2-(hydroxymethyl)-6-[(6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C16H20O8
SMILES
C=CCC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)OCO2
InChI
InChI=1S/C16H20O8/c1-2-3-8-4-9-15(22-7-21-9)10(5-8)23-16-14(20)13(19)12(18)11(6-17)24-16/h2,4-5,11-14,16-20H,1,3,6-7H2
InChIKey
WSBIGXWOOLUSSX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1158 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.123076 176.0
[M+Na]+ 363.105018 182.1
[M-H]- 339.108524 180.4
[M+NH4]+ 358.149623 185.7
[M+K]+ 379.078958 181.8
[M+H-H2O]+ 323.113060 170.5
[M+HCOO]- 385.114001 187.0
[M+CH3COO]- 399.129651 203.5
[M+Na-2H]- 361.090466 176.9
[M]+ 340.11525142 177.8
[M]- 340.11634858 177.8
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.