CID 45360331

2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C16H24O8
SMILES
CC(C(C1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C16H24O8/c1-8(18)15(9-3-5-10(22-2)6-4-9)24-16-14(21)13(20)12(19)11(7-17)23-16/h3-6,8,11-21H,7H2,1-2H3
InChIKey
IBLFDTIZHJLTIF-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

344.14713 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15441 178.3
[M+Na]+ 367.13635 185.8
[M+NH4]+ 362.18095 181.5
[M+K]+ 383.11029 185.1
[M-H]- 343.13985 178.2
[M+Na-2H]- 365.12180 177.8
[M]+ 344.14658 178.7
[M]- 344.14768 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.