CID 123767

Norketamine

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CCC(C(=O)C1)(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2

InChIKey

BEQZHFIKTBVCAU-UHFFFAOYSA-N

Compound name

2-amino-2-(2-chlorophenyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 241
References: 1085
Patents: 223.07639 Da
Monoisotopic Mass: 1.7
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]+	224.08367	148.3
[M+Na]+	246.06561	155.8
[M-H]-	222.06911	154.2
[M+NH4]+	241.11021	168.8
[M+K]+	262.03955	150.9
[M+H-H2O]+	206.07365	142.8
[M+HCOO]-	268.07459	165.4
[M+CH3COO]-	282.09024	188.0
[M+Na-2H]-	244.05106	152.9
[M]+	223.07584	144.6
[M]-	223.07694	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe