CID 131752337

3-hydroxybenzyl alcohol glucoside

Structural Information

Molecular Formula
C13H18O7
SMILES
C1=CC(=CC(=C1)O)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2
InChIKey
PNRKIXSZTUCIJN-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(3-hydroxyphenyl)methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.10526 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11254 162.9
[M+Na]+ 309.09448 172.3
[M+NH4]+ 304.13908 167.5
[M+K]+ 325.06842 170.0
[M-H]- 285.09798 163.9
[M+Na-2H]- 307.07993 164.3
[M]+ 286.10471 164.0
[M]- 286.10581 164.0
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