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

42
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

literature stripe

Patent stripe

patents stripe