CID 162493

(2-phenylethoxy)acetaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1=CC=C(C=C1)CCOCC=O

InChI

InChI=1S/C10H12O2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2

InChIKey

IPTBGLHPPBSVHE-UHFFFAOYSA-N

Compound name

2-(2-phenylethoxy)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 240
Patents: 164.08372 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]+	165.09100	134.5
[M+Na]+	187.07294	147.4
[M+NH4]+	182.11754	143.2
[M+K]+	203.04688	140.0
[M-H]-	163.07644	136.7
[M+Na-2H]-	185.05839	142.1
[M]+	164.08317	136.9
[M]-	164.08427	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe