CID 92515

56718-70-8

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

COCCC1=CC=C(C=C1)OCC2CO2

InChI

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

InChIKey

UEOWFGJMGUIGHC-UHFFFAOYSA-N

Compound name

2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 112
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]+	209.11722	146.7
[M+Na]+	231.09916	161.0
[M+NH4]+	226.14376	155.7
[M+K]+	247.07310	155.8
[M-H]-	207.10266	158.0
[M+Na-2H]-	229.08461	156.2
[M]+	208.10939	153.1
[M]-	208.11049	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe