CID 11471809

2,5-dimethyl-4-hydroxy-3(2h)-furanone beta-d-glucopyranoside

Structural Information

Molecular Formula
C12H18O8
SMILES
CC1C(=O)C(=C(O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C12H18O8/c1-4-7(14)11(5(2)18-4)20-12-10(17)9(16)8(15)6(3-13)19-12/h4,6,8-10,12-13,15-17H,3H2,1-2H3/t4?,6-,8-,9+,10-,12+/m1/s1
InChIKey
ZCBCXLRKTUDKOP-TUWMNXLUSA-N
Compound name
2,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

290.10016 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10744 161.3
[M+Na]+ 313.08938 168.5
[M-H]- 289.09288 164.8
[M+NH4]+ 308.13398 173.9
[M+K]+ 329.06332 168.6
[M+H-H2O]+ 273.09742 156.7
[M+HCOO]- 335.09836 174.9
[M+CH3COO]- 349.11401 194.4
[M+Na-2H]- 311.07483 160.4
[M]+ 290.09961 162.6
[M]- 290.10071 162.6
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

patents stripe