CID 78171387

2,3-butanediol glucoside

Structural Information

Molecular Formula
C10H20O7
SMILES
CC(C(C)OC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3
InChIKey
ZLXYJEYKAQYNPV-UHFFFAOYSA-N
Compound name
2-(3-hydroxybutan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1209 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12818 155.7
[M+Na]+ 275.11012 160.0
[M-H]- 251.11362 153.0
[M+NH4]+ 270.15472 168.2
[M+K]+ 291.08406 160.2
[M+H-H2O]+ 235.11816 150.6
[M+HCOO]- 297.11910 166.4
[M+CH3COO]- 311.13475 185.7
[M+Na-2H]- 273.09557 154.1
[M]+ 252.12035 153.6
[M]- 252.12145 153.6
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.