CID 15114475

(3-chloro-3-phenylpropyl)(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CNCCC(C1=CC=CC=C1)Cl

InChI

InChI=1S/C10H14ClN/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3

InChIKey

GOFAJKACZNCZCM-UHFFFAOYSA-N

Compound name

3-chloro-N-methyl-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 45
Patents: 183.08148 Da
Monoisotopic Mass: 2.3
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	139.6
[M+Na]+	206.070698	146.3
[M-H]-	182.074204	142.7
[M+NH4]+	201.115303	160.0
[M+K]+	222.044638	142.4
[M+H-H2O]+	166.078740	134.4
[M+HCOO]-	228.079681	159.3
[M+CH3COO]-	242.095331	183.9
[M+Na-2H]-	204.056146	145.8
[M]+	183.08093142	140.5
[M]-	183.08202858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe