CID 131752618

5-o-galloylhamamelofuranose

Structural Information

Molecular Formula
C13H16O10
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(CO)O)O
InChI
InChI=1S/C13H16O10/c14-4-13(21)10(18)8(23-12(13)20)3-22-11(19)5-1-6(15)9(17)7(16)2-5/h1-2,8,10,12,14-18,20-21H,3-4H2
InChIKey
VGGLWNMXAJJMPA-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07434 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08162 169.4
[M+Na]+ 355.06356 175.1
[M+NH4]+ 350.10816 172.2
[M+K]+ 371.03750 176.8
[M-H]- 331.06706 166.6
[M+Na-2H]- 353.04901 168.5
[M]+ 332.07379 168.7
[M]- 332.07489 168.7
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.