CID 95629

.beta.-d-glucopyranose, 1,6-anhydro-, triacetate

Structural Information

Molecular Formula
C12H16O8
SMILES
CC(=O)OC1C2COC(O2)C(C1OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3
InChIKey
BAKQMOSGYGQJOJ-UHFFFAOYSA-N
Compound name
(3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

101
Patents

288.0845 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09178 158.2
[M+Na]+ 311.07372 164.2
[M-H]- 287.07722 162.1
[M+NH4]+ 306.11832 174.5
[M+K]+ 327.04766 167.6
[M+H-H2O]+ 271.08176 154.0
[M+HCOO]- 333.08270 173.6
[M+CH3COO]- 347.09835 199.9
[M+Na-2H]- 309.05917 160.2
[M]+ 288.08395 164.9
[M]- 288.08505 164.9
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