CID 511901

Schembl5032151

Structural Information

Molecular Formula
C14H20O6
SMILES
CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H20O6/c1-2-8-3-5-9(6-4-8)19-14-13(18)12(17)11(16)10(7-15)20-14/h3-6,10-18H,2,7H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
REHUTJRCODXBBU-RKQHYHRCSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(4-ethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

284.12598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13326 163.9
[M+Na]+ 307.11520 169.8
[M-H]- 283.11870 166.1
[M+NH4]+ 302.15980 176.0
[M+K]+ 323.08914 167.9
[M+H-H2O]+ 267.12324 157.4
[M+HCOO]- 329.12418 178.1
[M+CH3COO]- 343.13983 192.6
[M+Na-2H]- 305.10065 164.9
[M]+ 284.12543 162.8
[M]- 284.12653 162.8
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.