CID 3867422

19152-55-7

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC(=O)C1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C11H12O3/c1-8(12)9-2-4-10(5-3-9)13-6-11-7-14-11/h2-5,11H,6-7H2,1H3

InChIKey

HBJRNQOAQXJYPB-UHFFFAOYSA-N

Compound name

1-[4-(oxiran-2-ylmethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 192.07864 Da
Monoisotopic Mass: 1.3
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]+	193.08592	142.4
[M+Na]+	215.06786	156.5
[M+NH4]+	210.11246	151.1
[M+K]+	231.04180	152.3
[M-H]-	191.07136	153.3
[M+Na-2H]-	213.05331	151.7
[M]+	192.07809	148.6
[M]-	192.07919	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe