CID 7695

4-methoxybenzyl acetate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC(=O)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

InChIKey

HFNGYHHRRMSKEU-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 3954
Patents: 180.07864 Da
Monoisotopic Mass: 1.9
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]+	181.08592	137.2
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	145.3
[M+K]+	219.04180	143.9
[M-H]-	179.07136	138.7
[M+Na-2H]-	201.05331	143.8
[M]+	180.07809	139.4
[M]-	180.07919	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe