CID 17365

Ethyl phenoxyacetate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCOC(=O)COC1=CC=CC=C1

InChI

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

InChIKey

MGZFVSUXQXCEHM-UHFFFAOYSA-N

Compound name

ethyl 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 936
Patents: 180.07864 Da
Monoisotopic Mass: 1.8
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	137.3
[M+Na]+	203.06786	144.3
[M-H]-	179.07136	140.8
[M+NH4]+	198.11246	157.2
[M+K]+	219.04180	143.7
[M+H-H2O]+	163.07590	131.2
[M+HCOO]-	225.07684	161.5
[M+CH3COO]-	239.09249	179.7
[M+Na-2H]-	201.05331	143.8
[M]+	180.07809	140.5
[M]-	180.07919	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe