CID 688303

Tri-o-acetyl-d-glucal

Structural Information

Molecular Formula
C12H16O7
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
InChIKey
LLPWGHLVUPBSLP-UTUOFQBUSA-N
Compound name
[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

1140
Patents

272.0896 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09688 156.1
[M+Na]+ 295.07882 161.9
[M-H]- 271.08232 160.1
[M+NH4]+ 290.12342 171.0
[M+K]+ 311.05276 164.3
[M+H-H2O]+ 255.08686 149.8
[M+HCOO]- 317.08780 175.1
[M+CH3COO]- 331.10345 196.4
[M+Na-2H]- 293.06427 157.4
[M]+ 272.08905 161.7
[M]- 272.09015 161.7
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.