CID 83114

13078-21-2

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CCOC(=O)COC1=CC=CC=C1OC

InChI

InChI=1S/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3

InChIKey

BZCGGCRVJFWCIW-UHFFFAOYSA-N

Compound name

ethyl 2-(2-methoxyphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 210.0892 Da
Monoisotopic Mass: 1.7
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]+	211.09648	144.2
[M+Na]+	233.07842	151.6
[M-H]-	209.08192	147.9
[M+NH4]+	228.12302	163.1
[M+K]+	249.05236	151.3
[M+H-H2O]+	193.08646	137.9
[M+HCOO]-	255.08740	168.2
[M+CH3COO]-	269.10305	185.9
[M+Na-2H]-	231.06387	149.5
[M]+	210.08865	149.6
[M]-	210.08975	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe