CID 656504

(2r,3r,4s,5r,6r)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C9H18O8
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O
InChI
InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1
InChIKey
NHJUPBDCSOGIKX-VGPGGAHRSA-N
Compound name
(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

83
References

1632
Patents

254.10017 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10745 153.8
[M+Na]+ 277.08939 159.2
[M+NH4]+ 272.13399 156.7
[M+K]+ 293.06333 159.9
[M-H]- 253.09289 150.5
[M+Na-2H]- 275.07484 150.8
[M]+ 254.09962 152.8
[M]- 254.10072 152.8
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