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

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]+	317.123076	167.8
[M+Na]+	339.105018	173.5
[M-H]-	315.108524	167.1
[M+NH4]+	334.149623	180.2
[M+K]+	355.078958	172.7
[M+H-H2O]+	299.113060	160.7
[M+HCOO]-	361.114001	186.9
[M+CH3COO]-	375.129651	198.8
[M+Na-2H]-	337.090466	169.1
[M]+	316.11525142	175.2
[M]-	316.11634858	175.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.