CID 572429

2930-02-1

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CCC1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3

InChIKey

AQKZSTFCPAOFIV-UHFFFAOYSA-N

Compound name

2-[(4-ethylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 178.09938 Da
Monoisotopic Mass: 2.4
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]+	179.10666	139.1
[M+Na]+	201.08860	154.1
[M+NH4]+	196.13320	148.8
[M+K]+	217.06254	148.7
[M-H]-	177.09210	151.0
[M+Na-2H]-	199.07405	149.4
[M]+	178.09883	145.9
[M]-	178.09993	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe