CID 68597137

2,4,6-trimethoxyphenyl acetate

Structural Information

Molecular Formula

C₁₁H₁₄O₅

SMILES

CC(=O)OC1=C(C=C(C=C1OC)OC)OC

InChI

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

InChIKey

LQLIWGLJAHTMMY-UHFFFAOYSA-N

Compound name

(2,4,6-trimethoxyphenyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.08412 Da
Monoisotopic Mass: 1.6
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]+	227.09140	146.9
[M+Na]+	249.07334	159.0
[M+NH4]+	244.11794	153.5
[M+K]+	265.04728	154.4
[M-H]-	225.07684	147.4
[M+Na-2H]-	247.05879	151.8
[M]+	226.08357	148.6
[M]-	226.08467	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe