CID 108989

60656-87-3

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1=CC=C(C=C1)COCC=O

InChI

InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2

InChIKey

NFNOAHXEQXMCGT-UHFFFAOYSA-N

Compound name

2-phenylmethoxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 2616
Patents: 150.06808 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]+	151.075356	128.8
[M+Na]+	173.057298	136.5
[M-H]-	149.060804	132.4
[M+NH4]+	168.101903	150.0
[M+K]+	189.031238	135.1
[M+H-H2O]+	133.065340	123.1
[M+HCOO]-	195.066281	154.1
[M+CH3COO]-	209.081931	174.5
[M+Na-2H]-	171.042746	137.2
[M]+	150.06753142	131.0
[M]-	150.06862858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe