CID 452727

Methoxyethoxyethyl gallate

Structural Information

Molecular Formula
C12H16O7
SMILES
COCCOCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C12H16O7/c1-17-2-3-18-4-5-19-12(16)8-6-9(13)11(15)10(14)7-8/h6-7,13-15H,2-5H2,1H3
InChIKey
GMPDYHBNNREVKP-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.0896 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.096876 156.8
[M+Na]+ 295.078818 163.7
[M-H]- 271.082324 156.6
[M+NH4]+ 290.123423 171.2
[M+K]+ 311.052758 162.5
[M+H-H2O]+ 255.086860 150.5
[M+HCOO]- 317.087801 176.4
[M+CH3COO]- 331.103451 190.6
[M+Na-2H]- 293.064266 158.9
[M]+ 272.08905142 162.0
[M]- 272.09014858 162.0
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