CID 62529

3867-15-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

C1CCC(CC1)(C#N)N2CCCCC2

InChI

InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2

InChIKey

WWSAYKJWUZJLRT-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 17
References: 212
Patents: 192.16264 Da
Monoisotopic Mass: 2.5
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]+	193.16992	143.9
[M+Na]+	215.15186	149.5
[M-H]-	191.15536	146.8
[M+NH4]+	210.19646	161.2
[M+K]+	231.12580	144.5
[M+H-H2O]+	175.15990	130.2
[M+HCOO]-	237.16084	156.4
[M+CH3COO]-	251.17649	153.2
[M+Na-2H]-	213.13731	148.0
[M]+	192.16209	130.5
[M]-	192.16319	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe