CID 53462251

Beta-d-xylopyranose, 1-(3,4-dihydroxybenzoate)

Structural Information

Molecular Formula
C12H14O8
SMILES
C1C(C(C(C(O1)OC(=O)C2=CC(=C(C=C2)O)O)O)O)O
InChI
InChI=1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2
InChIKey
VWQASRWQZBVNEI-UHFFFAOYSA-N
Compound name
(3,4,5-trihydroxyoxan-2-yl) 3,4-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.06888 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07616 160.3
[M+Na]+ 309.05810 169.1
[M+NH4]+ 304.10270 164.1
[M+K]+ 325.03204 168.4
[M-H]- 285.06160 160.3
[M+Na-2H]- 307.04355 161.1
[M]+ 286.06833 160.9
[M]- 286.06943 160.9
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