CID 134822125

N-ethylhexedrone

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCCCC(C(=O)C1=CC=CC=C1)NCC

InChI

InChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3

InChIKey

CWNKMHIETKEBCA-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-phenylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1822
Patents: 219.16231 Da
Monoisotopic Mass: 3.4
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	154.2
[M+Na]+	242.151528	158.3
[M-H]-	218.155034	156.9
[M+NH4]+	237.196133	172.1
[M+K]+	258.125468	156.0
[M+H-H2O]+	202.159570	147.3
[M+HCOO]-	264.160511	176.5
[M+CH3COO]-	278.176161	194.1
[M+Na-2H]-	240.136976	157.4
[M]+	219.16176142	154.6
[M]-	219.16285858	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe