CID 19845

3943-80-4

Structural Information

Molecular Formula

C₁₁H₁₄O₅

SMILES

CCOC(=O)C1=CC(=C(C(=C1)OC)O)OC

InChI

InChI=1S/C11H14O5/c1-4-16-11(13)7-5-8(14-2)10(12)9(6-7)15-3/h5-6,12H,4H2,1-3H3

InChIKey

WKUVKFZZCHINKG-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-3,5-dimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 234
Patents: 226.08412 Da
Monoisotopic Mass: 1.7
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]+	227.091396	145.9
[M+Na]+	249.073338	154.6
[M-H]-	225.076844	149.0
[M+NH4]+	244.117943	164.0
[M+K]+	265.047278	154.1
[M+H-H2O]+	209.081380	140.1
[M+HCOO]-	271.082321	168.7
[M+CH3COO]-	285.097971	187.9
[M+Na-2H]-	247.058786	149.5
[M]+	226.08357142	151.8
[M]-	226.08466858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe