CID 13297008

65292-99-1

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

COC1=CC=CC(=C1)CC=O

InChI

InChI=1S/C9H10O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,6-7H,5H2,1H3

InChIKey

DELKCHMCSIXEHO-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 727
Patents: 150.06808 Da
Monoisotopic Mass: 1.4
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]+	151.07536	128.1
[M+Na]+	173.05730	136.7
[M-H]-	149.06080	132.1
[M+NH4]+	168.10190	149.6
[M+K]+	189.03124	135.4
[M+H-H2O]+	133.06534	122.7
[M+HCOO]-	195.06628	153.4
[M+CH3COO]-	209.08193	175.6
[M+Na-2H]-	171.04275	135.8
[M]+	150.06753	130.6
[M]-	150.06863	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe