CID 61155

2-methoxyphenyl acetate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC(=O)OC1=CC=CC=C1OC

InChI

InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3

InChIKey

BHJHPYFAYGAPLS-UHFFFAOYSA-N

Compound name

(2-methoxyphenyl) acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 700
Patents: 166.06299 Da
Monoisotopic Mass: 1.4
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]+	167.07027	132.7
[M+Na]+	189.05221	145.5
[M+NH4]+	184.09681	140.9
[M+K]+	205.02615	139.9
[M-H]-	165.05571	134.3
[M+Na-2H]-	187.03766	139.5
[M]+	166.06244	134.9
[M]-	166.06354	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe