CID 85366474

3-(3,4-dihydroxyphenyl)-1-propanol 3'-glucoside

Structural Information

Molecular Formula
C15H22O8
SMILES
C1=CC(=C(C=C1CCCO)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C15H22O8/c16-5-1-2-8-3-4-9(18)10(6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h3-4,6,11-21H,1-2,5,7H2
InChIKey
HGKIWLYFVQJOOO-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13147 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13875 174.0
[M+Na]+ 353.12069 178.8
[M-H]- 329.12419 173.4
[M+NH4]+ 348.16529 182.7
[M+K]+ 369.09463 176.7
[M+H-H2O]+ 313.12873 167.1
[M+HCOO]- 375.12967 185.0
[M+CH3COO]- 389.14532 198.0
[M+Na-2H]- 351.10614 173.1
[M]+ 330.13092 173.0
[M]- 330.13202 173.0
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

No patent data available for this compound.