CID 439537

Vicianose

Structural Information

Molecular Formula
C11H20O10
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O
InChI
InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4+,5-,6+,7-,8+,9+,10?,11-/m0/s1
InChIKey
QYNRIDLOTGRNML-ULAALWPKSA-N
Compound name
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1085
Patents

312.10565 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11293 166.5
[M+Na]+ 335.09487 171.8
[M+NH4]+ 330.13947 168.5
[M+K]+ 351.06881 173.8
[M-H]- 311.09837 165.7
[M+Na-2H]- 333.08032 162.3
[M]+ 312.10510 166.2
[M]- 312.10620 166.2
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