CID 98357

2210-74-4

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC1=CC=CC=C1OCC2CO2

InChI

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

InChIKey

RJNVSQLNEALZLC-UHFFFAOYSA-N

Compound name

2-[(2-methoxyphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 745
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