CID 9167405

1-(2-methoxy-4-methylphenyl)ethanone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=CC(=C(C=C1)C(=O)C)OC

InChI

InChI=1S/C10H12O2/c1-7-4-5-9(8(2)11)10(6-7)12-3/h4-6H,1-3H3

InChIKey

WZHJIIIJSONKDI-UHFFFAOYSA-N

Compound name

1-(2-methoxy-4-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 164.08372 Da
Monoisotopic Mass: 2.2
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	131.9
[M+Na]+	187.07294	140.9
[M-H]-	163.07644	136.3
[M+NH4]+	182.11754	153.2
[M+K]+	203.04688	139.8
[M+H-H2O]+	147.08098	126.7
[M+HCOO]-	209.08192	156.0
[M+CH3COO]-	223.09757	180.6
[M+Na-2H]-	185.05839	137.2
[M]+	164.08317	134.6
[M]-	164.08427	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe