CID 25223

Clortermine

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CC(C)(CC1=CC=CC=C1Cl)N

InChI

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

InChIKey

HXCXASJHZQXCKK-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 9
References: 6025
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]+	184.08876	139.8
[M+Na]+	206.07070	148.2
[M-H]-	182.07420	143.1
[M+NH4]+	201.11530	160.5
[M+K]+	222.04464	143.9
[M+H-H2O]+	166.07874	135.4
[M+HCOO]-	228.07968	158.3
[M+CH3COO]-	242.09533	183.8
[M+Na-2H]-	204.05615	146.1
[M]+	183.08093	140.2
[M]-	183.08203	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe