CID 43227731

4-methyldiethcathinone

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCN(CC)C(C)C(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H21NO/c1-5-15(6-2)12(4)14(16)13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3

InChIKey

SPARQPFHQXMJOR-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-(4-methylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.16231 Da
Monoisotopic Mass: 3.2
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]+	220.169586	153.0
[M+Na]+	242.151528	158.3
[M-H]-	218.155034	157.7
[M+NH4]+	237.196133	171.9
[M+K]+	258.125468	157.4
[M+H-H2O]+	202.159570	146.3
[M+HCOO]-	264.160511	175.9
[M+CH3COO]-	278.176161	198.8
[M+Na-2H]-	240.136976	154.9
[M]+	219.16176142	155.2
[M]-	219.16285858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe