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 162.3
[M+Na]+ 309.09448 167.9
[M-H]- 285.09798 163.2
[M+NH4]+ 304.13908 173.4
[M+K]+ 325.06842 166.0
[M+H-H2O]+ 269.10252 155.7
[M+HCOO]- 331.10346 175.4
[M+CH3COO]- 345.11911 190.0
[M+Na-2H]- 307.07993 163.4
[M]+ 286.10471 160.5
[M]- 286.10581 160.5
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