CID 98357

((o-methoxyphenoxy)methyl)oxirane

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

3
Annotation Hits: 0
References: 882
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]+	181.085916	136.2
[M+Na]+	203.067858	146.1
[M-H]-	179.071364	144.8
[M+NH4]+	198.112463	150.4
[M+K]+	219.041798	145.7
[M+H-H2O]+	163.075900	129.3
[M+HCOO]-	225.076841	160.5
[M+CH3COO]-	239.092491	183.3
[M+Na-2H]-	201.053306	144.6
[M]+	180.07809142	142.8
[M]-	180.07918858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe