CID 20226504

3-methoxybenzyl acrylate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

InChI=1S/C11H12O3/c1-3-11(12)14-8-9-5-4-6-10(7-9)13-2/h3-7H,1,8H2,2H3

InChIKey

GRQCJLZJUDPOKY-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 192.07864 Da
Monoisotopic Mass: 2.6
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]+	193.085916	139.7
[M+Na]+	215.067858	147.5
[M-H]-	191.071364	143.5
[M+NH4]+	210.112463	159.4
[M+K]+	231.041798	146.0
[M+H-H2O]+	175.075900	133.8
[M+HCOO]-	237.076841	163.8
[M+CH3COO]-	251.092491	183.0
[M+Na-2H]-	213.053306	145.0
[M]+	192.07809142	143.0
[M]-	192.07918858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe