CID 21959958

77136-95-9

Structural Information

Molecular Formula

C₁₄H₁₈O₄

SMILES

CC(=C)C(=O)OCCOCCOC1=CC=CC=C1

InChI

InChI=1S/C14H18O4/c1-12(2)14(15)18-11-9-16-8-10-17-13-6-4-3-5-7-13/h3-7H,1,8-11H2,2H3

InChIKey

WTJTUKSVRGVSNZ-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1095
Patents: 250.12051 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]+	251.127786	157.9
[M+Na]+	273.109728	163.1
[M-H]-	249.113234	160.7
[M+NH4]+	268.154333	174.7
[M+K]+	289.083668	161.8
[M+H-H2O]+	233.117770	150.9
[M+HCOO]-	295.118711	180.1
[M+CH3COO]-	309.134361	193.7
[M+Na-2H]-	271.095176	160.9
[M]+	250.11996142	162.6
[M]-	250.12105858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe