CID 43794763

4-methoxy-n,n-dimethylcathinone

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3

InChIKey

LODCRGDBFNUJIZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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	146.8
[M+Na]+	230.11515	152.9
[M-H]-	206.11865	151.8
[M+NH4]+	225.15975	166.1
[M+K]+	246.08909	153.1
[M+H-H2O]+	190.12319	140.3
[M+HCOO]-	252.12413	170.6
[M+CH3COO]-	266.13978	194.8
[M+Na-2H]-	228.10060	149.8
[M]+	207.12538	149.7
[M]-	207.12648	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe