CID 5280656

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(e)-3-phenylprop-2-enoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C15H20O6
SMILES
C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

922
Patents

296.12598 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 167.3
[M+Na]+ 319.11520 172.2
[M-H]- 295.11870 169.0
[M+NH4]+ 314.15980 178.6
[M+K]+ 335.08914 169.4
[M+H-H2O]+ 279.12324 160.4
[M+HCOO]- 341.12418 181.4
[M+CH3COO]- 355.13983 192.9
[M+Na-2H]- 317.10065 168.4
[M]+ 296.12543 165.3
[M]- 296.12653 165.3
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.