CID 124253315

3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1C2(CC1(C2)N)C#N

InChI

InChI=1S/C6H8N2/c7-4-5-1-6(8,2-5)3-5/h1-3,8H2

InChIKey

IDGRIZONVXYBNY-UHFFFAOYSA-N

Compound name

3-aminobicyclo[1.1.1]pentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 108.06875 Da
Monoisotopic Mass: -0.7
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]+	109.076026	136.0
[M+Na]+	131.057968	141.8
[M-H]-	107.061474	139.8
[M+NH4]+	126.102573	143.6
[M+K]+	147.031908	147.9
[M+H-H2O]+	91.066010	119.8
[M+HCOO]-	153.066951	148.2
[M+CH3COO]-	167.082601	210.1
[M+Na-2H]-	129.043416	143.6
[M]+	108.06820142	153.2
[M]-	108.06929858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe