CID 78911

3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN(C)CCC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H17NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3

InChIKey

OFNZCNMFQSONGW-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 41
Patents: 207.12593 Da
Monoisotopic Mass: 1.5
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]+	208.13321	147.0
[M+Na]+	230.11515	158.5
[M+NH4]+	225.15975	155.0
[M+K]+	246.08909	152.6
[M-H]-	206.11865	149.5
[M+Na-2H]-	228.10060	153.4
[M]+	207.12538	149.2
[M]-	207.12648	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe