CID 10773822

4-(4-chlorophenyl)butan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

C1=CC(=CC=C1CCCCN)Cl

InChI

InChI=1S/C10H14ClN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,1-3,8,12H2

InChIKey

DBRKOJIBBAJAII-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 183.08148 Da
Monoisotopic Mass: 3.0
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]+	184.088756	139.5
[M+Na]+	206.070698	147.3
[M-H]-	182.074204	142.3
[M+NH4]+	201.115303	160.0
[M+K]+	222.044638	142.7
[M+H-H2O]+	166.078740	134.4
[M+HCOO]-	228.079681	159.5
[M+CH3COO]-	242.095331	183.5
[M+Na-2H]-	204.056146	145.1
[M]+	183.08093142	140.3
[M]-	183.08202858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe