CID 23527

4-(aminomethyl)piperidine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CNCCC1CN

InChI

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

InChIKey

LTEKQAPRXFBRNN-UHFFFAOYSA-N

Compound name

piperidin-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 5856
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]+	115.12298	125.5
[M+Na]+	137.10492	129.8
[M-H]-	113.10842	124.9
[M+NH4]+	132.14952	145.3
[M+K]+	153.07886	127.9
[M+H-H2O]+	97.112960	119.4
[M+HCOO]-	159.11390	144.2
[M+CH3COO]-	173.12955	167.4
[M+Na-2H]-	135.09037	131.0
[M]+	114.11515	116.8
[M]-	114.11625	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe