CID 84663

Diallylcyclohexylamine

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

C=CCN(CC=C)C1CCCCC1

InChI

InChI=1S/C12H21N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2

InChIKey

OQPJPTHRWIALLQ-UHFFFAOYSA-N

Compound name

N,N-bis(prop-2-enyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 648
Patents: 179.1674 Da
Monoisotopic Mass: 3.4
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]+	180.174676	144.5
[M+Na]+	202.156618	147.3
[M-H]-	178.160124	147.8
[M+NH4]+	197.201223	164.4
[M+K]+	218.130558	145.5
[M+H-H2O]+	162.164660	137.9
[M+HCOO]-	224.165601	165.5
[M+CH3COO]-	238.181251	188.2
[M+Na-2H]-	200.142066	147.5
[M]+	179.16685142	140.2
[M]-	179.16794858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe