CID 213933

3-(3,5-dimethoxyphenoxy)-1,2-propanediol

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

1
Patents

228.09978 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.107056 148.6
[M+Na]+ 251.088998 155.5
[M-H]- 227.092504 149.7
[M+NH4]+ 246.133603 165.6
[M+K]+ 267.062938 154.7
[M+H-H2O]+ 211.097040 142.6
[M+HCOO]- 273.097981 169.6
[M+CH3COO]- 287.113631 185.7
[M+Na-2H]- 249.074446 152.2
[M]+ 228.09923142 152.9
[M]- 228.10032858 152.9
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

patents stripe