CID 29897

19992-45-1

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

C1CC(CCC1C2=CC=CC=C2)N

InChI

InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2

InChIKey

SJISCEAZUHNOMD-UHFFFAOYSA-N

Compound name

4-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3025
Patents: 175.1361 Da
Monoisotopic Mass: 2.3
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]+	176.143376	139.2
[M+Na]+	198.125318	143.7
[M-H]-	174.128824	144.6
[M+NH4]+	193.169923	158.5
[M+K]+	214.099258	140.5
[M+H-H2O]+	158.133360	132.3
[M+HCOO]-	220.134301	160.4
[M+CH3COO]-	234.149951	182.3
[M+Na-2H]-	196.110766	144.0
[M]+	175.13555142	131.9
[M]-	175.13664858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe