CID 118426217

3-aminopiperidine-1-carbonitrile

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1CC(CN(C1)C#N)N

InChI

InChI=1S/C6H11N3/c7-5-9-3-1-2-6(8)4-9/h6H,1-4,8H2

InChIKey

ACMQNDYVVBAFQQ-UHFFFAOYSA-N

Compound name

3-aminopiperidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 125.0953 Da
Monoisotopic Mass: 0.2
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]+	126.10258	130.3
[M+Na]+	148.08452	140.0
[M+NH4]+	143.12912	135.3
[M+K]+	164.05846	131.4
[M-H]-	124.08802	124.9
[M+Na-2H]-	146.06997	132.8
[M]+	125.09475	129.1
[M]-	125.09585	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe