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
4
Annotation Hits

11
References

114
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 164.2
[M+Na]+ 307.11520 174.1
[M+NH4]+ 302.15980 169.6
[M+K]+ 323.08914 170.5
[M-H]- 283.11870 166.1
[M+Na-2H]- 305.10065 166.7
[M]+ 284.12543 165.8
[M]- 284.12653 165.8
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

patents stripe