CID 131074

Cericlamine

Structural Information

Molecular Formula

C₁₂H₁₇Cl₂NO

SMILES

CC(CC1=CC(=C(C=C1)Cl)Cl)(CO)N(C)C

InChI

InChI=1S/C12H17Cl2NO/c1-12(8-16,15(2)3)7-9-4-5-10(13)11(14)6-9/h4-6,16H,7-8H2,1-3H3

InChIKey

FWYRGHMKHZXXQX-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3211
Patents: 261.06873 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]+	262.07601	158.1
[M+Na]+	284.05795	171.1
[M+NH4]+	279.10255	166.7
[M+K]+	300.03189	164.0
[M-H]-	260.06145	160.2
[M+Na-2H]-	282.04340	164.3
[M]+	261.06818	161.3
[M]-	261.06928	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe