CID 437168

2-(methylamino)-2-phenylcyclohexan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CNC1(CCCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3

InChIKey

ZAGBSZSITDFFAF-UHFFFAOYSA-N

Compound name

2-(methylamino)-2-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 203.13101 Da
Monoisotopic Mass: 1.6
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]+	204.13829	145.6
[M+Na]+	226.12023	150.9
[M-H]-	202.12373	151.7
[M+NH4]+	221.16483	165.9
[M+K]+	242.09417	148.0
[M+H-H2O]+	186.12827	138.9
[M+HCOO]-	248.12921	167.5
[M+CH3COO]-	262.14486	186.7
[M+Na-2H]-	224.10568	151.9
[M]+	203.13046	140.7
[M]-	203.13156	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe