CID 45079044

4-aminobicyclo[2.2.2]octane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C1CC2(CCC1(CC2)C#N)N

InChI

InChI=1S/C9H14N2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h1-6,11H2

InChIKey

PZVBMICXEFMWCO-UHFFFAOYSA-N

Compound name

4-aminobicyclo[2.2.2]octane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 150.11569 Da
Monoisotopic Mass: 0.4
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]+	151.122966	138.2
[M+Na]+	173.104908	147.6
[M-H]-	149.108414	136.3
[M+NH4]+	168.149513	164.6
[M+K]+	189.078848	138.8
[M+H-H2O]+	133.112950	128.7
[M+HCOO]-	195.113891	148.8
[M+CH3COO]-	209.129541	148.6
[M+Na-2H]-	171.090356	150.2
[M]+	150.11514142	132.0
[M]-	150.11623858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe