CID 200371

1798-83-0

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

InChI=1S/C11H14ClNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3

InChIKey

WUYKWNHDYQFCMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 66
Patents: 211.07639 Da
Monoisotopic Mass: 2.2
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]+	212.083666	145.3
[M+Na]+	234.065608	153.0
[M-H]-	210.069114	150.3
[M+NH4]+	229.110213	165.5
[M+K]+	250.039548	150.2
[M+H-H2O]+	194.073650	139.9
[M+HCOO]-	256.074591	165.7
[M+CH3COO]-	270.090241	192.6
[M+Na-2H]-	232.051056	149.6
[M]+	211.07584142	149.1
[M]-	211.07693858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe