CID 437168

4631-27-0

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: 53
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	147.3
[M+Na]+	226.12023	159.6
[M+NH4]+	221.16483	158.2
[M+K]+	242.09417	150.0
[M-H]-	202.12373	152.5
[M+Na-2H]-	224.10568	157.1
[M]+	203.13046	150.7
[M]-	203.13156	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe