CID 213933

27318-87-2

Structural Information

Molecular Formula

C₁₁H₁₆O₅

SMILES

COC1=CC(=CC(=C1)OCC(CO)O)OC

InChI

InChI=1S/C11H16O5/c1-14-9-3-10(15-2)5-11(4-9)16-7-8(13)6-12/h3-5,8,12-13H,6-7H2,1-2H3

InChIKey

ZSCBAJZMNJWRTI-UHFFFAOYSA-N

Compound name

3-(3,5-dimethoxyphenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.09978 Da
Monoisotopic Mass: 0.5
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]+	229.10706	148.6
[M+Na]+	251.08900	155.5
[M-H]-	227.09250	149.7
[M+NH4]+	246.13360	165.6
[M+K]+	267.06294	154.7
[M+H-H2O]+	211.09704	142.6
[M+HCOO]-	273.09798	169.6
[M+CH3COO]-	287.11363	185.7
[M+Na-2H]-	249.07445	152.2
[M]+	228.09923	152.9
[M]-	228.10033	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe