CID 44390556

64703-98-6

Structural Information

Molecular Formula
C15H20O6
SMILES
C=CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15-/m1/s1
InChIKey
BGWWYZXBGAKMRB-UXXRCYHCSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

50
Patents

296.12598 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 167.2
[M+Na]+ 319.11520 172.9
[M-H]- 295.11870 169.2
[M+NH4]+ 314.15980 178.7
[M+K]+ 335.08914 170.2
[M+H-H2O]+ 279.12324 160.5
[M+HCOO]- 341.12418 181.2
[M+CH3COO]- 355.13983 195.0
[M+Na-2H]- 317.10065 167.6
[M]+ 296.12543 165.7
[M]- 296.12653 165.7
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.