CID 85213

15964-79-1

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COC1=C(C=C(C=C1)CC(=O)OC)OC

InChI

InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3

InChIKey

DILOFCBIBDMHAY-UHFFFAOYSA-N

Compound name

methyl 2-(3,4-dimethoxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2642
Patents: 210.0892 Da
Monoisotopic Mass: 1.3
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]+	211.096476	143.2
[M+Na]+	233.078418	151.6
[M-H]-	209.081924	147.4
[M+NH4]+	228.123023	162.5
[M+K]+	249.052358	151.4
[M+H-H2O]+	193.086460	137.2
[M+HCOO]-	255.087401	167.3
[M+CH3COO]-	269.103051	187.1
[M+Na-2H]-	231.063866	147.9
[M]+	210.08865142	149.1
[M]-	210.08974858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe