CID 10106330

2-o-(alpha-d-glucopyranosyl)glycerol

Structural Information

Molecular Formula
C9H18O8
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O
InChI
InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1
InChIKey
AQTKXCPRNZDOJU-ZEBDFXRSSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

77
References

152
Patents

254.10017 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10745 153.6
[M+Na]+ 277.08939 157.9
[M-H]- 253.09289 149.5
[M+NH4]+ 272.13399 165.2
[M+K]+ 293.06333 157.5
[M+H-H2O]+ 237.09743 148.3
[M+HCOO]- 299.09837 164.2
[M+CH3COO]- 313.11402 182.1
[M+Na-2H]- 275.07484 153.4
[M]+ 254.09962 151.4
[M]- 254.10072 151.4
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