CID 23313369

89507-60-8

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

COCCC1=CC=CC=C1OCC2CO2

InChI

InChI=1S/C12H16O3/c1-13-7-6-10-4-2-3-5-12(10)15-9-11-8-14-11/h2-5,11H,6-9H2,1H3

InChIKey

HHXYSPIYGFSNRC-UHFFFAOYSA-N

Compound name

2-[[2-(2-methoxyethyl)phenoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 208.10994 Da
Monoisotopic Mass: 1.7
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]+	209.117216	144.9
[M+Na]+	231.099158	154.0
[M-H]-	207.102664	153.2
[M+NH4]+	226.143763	158.0
[M+K]+	247.073098	153.1
[M+H-H2O]+	191.107200	137.7
[M+HCOO]-	253.108141	168.6
[M+CH3COO]-	267.123791	189.1
[M+Na-2H]-	229.084606	152.3
[M]+	208.10939142	152.3
[M]-	208.11048858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe