CID 468284

2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

Structural Information

Molecular Formula
C14H20O6
SMILES
C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2
InChIKey
MLRIJUWUQTVDQE-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

89
Patents

284.12598 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13326 163.7
[M+Na]+ 307.11520 168.7
[M-H]- 283.11870 165.5
[M+NH4]+ 302.15980 175.5
[M+K]+ 323.08914 166.6
[M+H-H2O]+ 267.12324 156.9
[M+HCOO]- 329.12418 177.9
[M+CH3COO]- 343.13983 191.3
[M+Na-2H]- 305.10065 165.3
[M]+ 284.12543 162.2
[M]- 284.12653 162.2
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.