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]+ 345.154406 177.7
[M+Na]+ 367.136348 181.1
[M-H]- 343.139854 178.1
[M+NH4]+ 362.180953 186.1
[M+K]+ 383.110288 180.8
[M+H-H2O]+ 327.144390 170.7
[M+HCOO]- 389.145331 188.0
[M+CH3COO]- 403.160981 203.5
[M+Na-2H]- 365.121796 175.1
[M]+ 344.14658142 177.2
[M]- 344.14767858 177.2
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.