CID 220189

5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

Structural Information

Molecular Formula
C7H12O6
SMILES
C1C2C(C(C(C(O1)(O2)CO)O)O)O
InChI
InChI=1S/C7H12O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-6,8-11H,1-2H2
InChIKey
GKUQBELMWYQKKJ-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

519
Patents

192.06339 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07067 136.1
[M+Na]+ 215.05261 143.4
[M+NH4]+ 210.09721 143.7
[M+K]+ 231.02655 142.2
[M-H]- 191.05611 135.7
[M+Na-2H]- 213.03806 135.2
[M]+ 192.06284 136.6
[M]- 192.06394 136.6
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