CID 3090641

4'-(2-hydroxyethoxy)acetophenone

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC(=O)C1=CC=C(C=C1)OCCO

InChI

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

InChIKey

GAGUQISURGFYNC-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxyethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 180.07864 Da
Monoisotopic Mass: 1.1
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	137.0
[M+Na]+	203.06786	144.4
[M-H]-	179.07136	139.5
[M+NH4]+	198.11246	156.4
[M+K]+	219.04180	142.9
[M+H-H2O]+	163.07590	131.4
[M+HCOO]-	225.07684	159.7
[M+CH3COO]-	239.09249	178.9
[M+Na-2H]-	201.05331	142.3
[M]+	180.07809	138.8
[M]-	180.07919	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe