CID 86678245

2089258-24-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

C1CCC(=CC1)CN2CCC(CC2)N

InChI

InChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h4,12H,1-3,5-10,13H2

InChIKey

LTDOZLFWOIARHS-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 194.1783 Da
Monoisotopic Mass: 1.5
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]+	195.18558	147.4
[M+Na]+	217.16752	149.8
[M-H]-	193.17102	150.5
[M+NH4]+	212.21212	164.4
[M+K]+	233.14146	146.9
[M+H-H2O]+	177.17556	139.3
[M+HCOO]-	239.17650	164.3
[M+CH3COO]-	253.19215	185.7
[M+Na-2H]-	215.15297	150.1
[M]+	194.17775	137.8
[M]-	194.17885	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe