CID 13037722

1,6-anhydro-beta-d-glucofuranose

Structural Information

Molecular Formula
C6H10O5
SMILES
C1[C@H]([C@@H]2[C@@H]([C@H]([C@H](O1)O2)O)O)O
InChI
InChI=1S/C6H10O5/c7-2-1-10-6-4(9)3(8)5(2)11-6/h2-9H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
GYNYBVOAJFHCRG-QZABAPFNSA-N
Compound name
(1R,4R,5R,6R,7R)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

162.05283 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 128.3
[M+Na]+ 185.04205 135.9
[M-H]- 161.04555 128.8
[M+NH4]+ 180.08665 148.1
[M+K]+ 201.01599 136.4
[M+H-H2O]+ 145.05009 125.3
[M+HCOO]- 207.05103 143.0
[M+CH3COO]- 221.06668 169.2
[M+Na-2H]- 183.02750 134.8
[M]+ 162.05228 127.2
[M]- 162.05338 127.2
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