CID 78887

2-methoxyphenylacetone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC(=O)CC1=CC=CC=C1OC

InChI

InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3

InChIKey

GMBFNZCPZFVKAT-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 375
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	133.0
[M+Na]+	187.07294	141.0
[M-H]-	163.07644	137.0
[M+NH4]+	182.11754	153.9
[M+K]+	203.04688	139.9
[M+H-H2O]+	147.08098	127.5
[M+HCOO]-	209.08192	157.0
[M+CH3COO]-	223.09757	179.5
[M+Na-2H]-	185.05839	138.9
[M]+	164.08317	135.3
[M]-	164.08427	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe