CID 90880

3-(aminomethyl)piperidine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CC(CNC1)CN

InChI

InChI=1S/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2

InChIKey

IPOVLZSJBYKHHU-UHFFFAOYSA-N

Compound name

piperidin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1211
Patents: 114.1157 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]+	115.122976	125.5
[M+Na]+	137.104918	129.8
[M-H]-	113.108424	124.9
[M+NH4]+	132.149523	145.3
[M+K]+	153.078858	127.9
[M+H-H2O]+	97.112960	119.4
[M+HCOO]-	159.113901	144.2
[M+CH3COO]-	173.129551	167.4
[M+Na-2H]-	135.090366	131.0
[M]+	114.11515142	116.8
[M]-	114.11624858	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe