CID 14661996

4-chloro-n-(2-methylpropyl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CC(C)CNC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3

InChIKey

PTQOMEKCDOOALF-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-methylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 183.08148 Da
Monoisotopic Mass: 3.9
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	146.9
[M-H]-	182.074204	142.7
[M+NH4]+	201.115303	160.0
[M+K]+	222.044638	143.0
[M+H-H2O]+	166.078740	134.3
[M+HCOO]-	228.079681	158.9
[M+CH3COO]-	242.095331	185.0
[M+Na-2H]-	204.056146	144.7
[M]+	183.08093142	140.5
[M]-	183.08202858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe