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]+ 341.12308 176.0
[M+Na]+ 363.10502 182.1
[M-H]- 339.10852 180.4
[M+NH4]+ 358.14962 185.7
[M+K]+ 379.07896 181.8
[M+H-H2O]+ 323.11306 170.5
[M+HCOO]- 385.11400 187.0
[M+CH3COO]- 399.12965 203.5
[M+Na-2H]- 361.09047 176.9
[M]+ 340.11525 177.8
[M]- 340.11635 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.