CID 452728

Methoxyethoxyethoxyethyl gallate

Structural Information

Molecular Formula
C14H20O8
SMILES
COCCOCCOCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C14H20O8/c1-19-2-3-20-4-5-21-6-7-22-14(18)10-8-11(15)13(17)12(16)9-10/h8-9,15-17H,2-7H2,1H3
InChIKey
GWXKKYPFWUBMSA-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1158 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12308 167.8
[M+Na]+ 339.10502 173.5
[M-H]- 315.10852 167.1
[M+NH4]+ 334.14962 180.2
[M+K]+ 355.07896 172.7
[M+H-H2O]+ 299.11306 160.7
[M+HCOO]- 361.11400 186.9
[M+CH3COO]- 375.12965 198.8
[M+Na-2H]- 337.09047 169.1
[M]+ 316.11525 175.2
[M]- 316.11635 175.2
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.