CID 82280967

[2-(3-chlorophenyl)propan-2-yl](methyl)amine

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CC(C)(C1=CC(=CC=C1)Cl)NC

InChI

InChI=1S/C10H14ClN/c1-10(2,12-3)8-5-4-6-9(11)7-8/h4-7,12H,1-3H3

InChIKey

OPDGMFJZORYPRM-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.08148 Da
Monoisotopic Mass: 2.5
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	139.2
[M+Na]+	206.070698	147.6
[M-H]-	182.074204	143.0
[M+NH4]+	201.115303	160.2
[M+K]+	222.044638	143.7
[M+H-H2O]+	166.078740	134.7
[M+HCOO]-	228.079681	158.3
[M+CH3COO]-	242.095331	184.5
[M+Na-2H]-	204.056146	146.6
[M]+	183.08093142	140.6
[M]-	183.08202858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe