CID 100089

Benzylidene glucose

Structural Information

Molecular Formula
C13H16O6
SMILES
C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3
InChI
InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2
InChIKey
FOLRUCXBTYDAQK-UHFFFAOYSA-N
Compound name
2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

181
Patents

268.0947 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10198 158.1
[M+Na]+ 291.08392 169.6
[M+NH4]+ 286.12852 165.0
[M+K]+ 307.05786 166.4
[M-H]- 267.08742 164.1
[M+Na-2H]- 289.06937 160.1
[M]+ 268.09415 161.3
[M]- 268.09525 161.3
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