CID 4778233

412355-81-8

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

C1CN(CCC1N)C2=NC=CC=N2

InChI

InChI=1S/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2

InChIKey

USLXJAKPMUUGPV-UHFFFAOYSA-N

Compound name

1-pyrimidin-2-ylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 178.12184 Da
Monoisotopic Mass: 0.3
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]+	179.12912	139.7
[M+Na]+	201.11106	152.0
[M+NH4]+	196.15566	147.8
[M+K]+	217.08500	145.6
[M-H]-	177.11456	142.9
[M+Na-2H]-	199.09651	147.6
[M]+	178.12129	142.1
[M]-	178.12239	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe