CID 4984739

15548-45-5

Structural Information

Molecular Formula

C₁₃H₁₈O₆

SMILES

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2

InChIKey

GKHCBYYBLTXYEV-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 270
Patents: 270.11035 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.11763	159.7
[M+Na]+	293.09957	169.8
[M+NH4]+	288.14417	165.3
[M+K]+	309.07351	166.5
[M-H]-	269.10307	161.7
[M+Na-2H]-	291.08502	162.4
[M]+	270.10980	161.4
[M]-	270.11090	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe