CID 61727251

4-(piperidin-3-yl)pyrimidin-2-amine

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

C1CC(CNC1)C2=NC(=NC=C2)N

InChI

InChI=1S/C9H14N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2,(H2,10,12,13)

InChIKey

QFNXYDKPFRKFSF-UHFFFAOYSA-N

Compound name

4-piperidin-3-ylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 178.12184 Da
Monoisotopic Mass: 0.0
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	140.0
[M+Na]+	201.11106	151.7
[M+NH4]+	196.15566	147.7
[M+K]+	217.08500	145.6
[M-H]-	177.11456	142.6
[M+Na-2H]-	199.09651	147.3
[M]+	178.12129	142.1
[M]-	178.12239	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe