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 177.7
[M+Na]+ 367.13635 181.1
[M-H]- 343.13985 178.1
[M+NH4]+ 362.18095 186.1
[M+K]+ 383.11029 180.8
[M+H-H2O]+ 327.14439 170.7
[M+HCOO]- 389.14533 188.0
[M+CH3COO]- 403.16098 203.5
[M+Na-2H]- 365.12180 175.1
[M]+ 344.14658 177.2
[M]- 344.14768 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.