CID 11321261

3-cyclohexylaniline

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

C1CCC(CC1)C2=CC(=CC=C2)N

InChI

InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,13H2

InChIKey

KKHJTHLWDZQCFP-UHFFFAOYSA-N

Compound name

3-cyclohexylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 175.1361 Da
Monoisotopic Mass: 3.8
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]+	176.14338	140.4
[M+Na]+	198.12532	152.9
[M+NH4]+	193.16992	150.7
[M+K]+	214.09926	145.0
[M-H]-	174.12882	146.3
[M+Na-2H]-	196.11077	149.0
[M]+	175.13555	143.8
[M]-	175.13665	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe