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: 3350
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	157.1
[M+Na]+	284.05795	165.6
[M-H]-	260.06145	160.3
[M+NH4]+	279.10255	175.5
[M+K]+	300.03189	160.7
[M+H-H2O]+	244.06599	153.1
[M+HCOO]-	306.06693	169.7
[M+CH3COO]-	320.08258	199.0
[M+Na-2H]-	282.04340	160.8
[M]+	261.06818	161.6
[M]-	261.06928	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe