CID 16646

2211-94-1

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3

InChIKey

AVWGFHZLPMLKBL-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1555
Patents: 180.07864 Da
Monoisotopic Mass: 1.6
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]+	181.08592	138.8
[M+Na]+	203.06786	153.5
[M+NH4]+	198.11246	148.1
[M+K]+	219.04180	148.7
[M-H]-	179.07136	150.2
[M+Na-2H]-	201.05331	148.8
[M]+	180.07809	145.3
[M]-	180.07919	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe