CID 12595650

65618-71-5

Structural Information

Molecular Formula

C₁₄H₁₈ClNO

SMILES

CN(C)C1(CCC(=O)CC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO/c1-16(2)14(9-7-13(17)8-10-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3

InChIKey

GIPFCXTUXOTXRL-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 251.1077 Da
Monoisotopic Mass: 2.4
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]+	252.114976	155.9
[M+Na]+	274.096918	162.6
[M-H]-	250.100424	163.5
[M+NH4]+	269.141523	176.2
[M+K]+	290.070858	159.0
[M+H-H2O]+	234.104960	149.8
[M+HCOO]-	296.105901	173.4
[M+CH3COO]-	310.121551	198.0
[M+Na-2H]-	272.082366	159.7
[M]+	251.10715142	155.2
[M]-	251.10824858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe