CID 14219920

Methyl 4-(methoxymethyl)phenylacetate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COCC1=CC=C(C=C1)CC(=O)OC

InChI

InChI=1S/C11H14O3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3

InChIKey

PICKHCWVNHPTSX-UHFFFAOYSA-N

Compound name

methyl 2-[4-(methoxymethyl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.0943 Da
Monoisotopic Mass: 1.5
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]+	195.10158	141.8
[M+Na]+	217.08352	154.1
[M+NH4]+	212.12812	149.6
[M+K]+	233.05746	148.0
[M-H]-	193.08702	143.2
[M+Na-2H]-	215.06897	148.0
[M]+	194.09375	143.8
[M]-	194.09485	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe