CID 43794736

4-chlorodimethylcathinone

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-4-6-10(12)7-5-9/h4-8H,1-3H3

InChIKey

XMBDJBGDUKIOFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.07639 Da
Monoisotopic Mass: 2.7
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]+	212.083666	145.0
[M+Na]+	234.065608	152.4
[M-H]-	210.069114	150.0
[M+NH4]+	229.110213	165.1
[M+K]+	250.039548	150.1
[M+H-H2O]+	194.073650	139.7
[M+HCOO]-	256.074591	164.4
[M+CH3COO]-	270.090241	193.5
[M+Na-2H]-	232.051056	148.1
[M]+	211.07584142	148.2
[M]-	211.07693858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe