CID 15516969

2-(piperidin-4-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CNCCC1C2=NC=CC=N2

InChI

InChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2

InChIKey

OLYYSYUUMYTBLJ-UHFFFAOYSA-N

Compound name

2-piperidin-4-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 163.11095 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]+	164.11823	137.0
[M+Na]+	186.10017	150.0
[M+NH4]+	181.14477	145.4
[M+K]+	202.07411	142.9
[M-H]-	162.10367	139.5
[M+Na-2H]-	184.08562	145.3
[M]+	163.11040	139.4
[M]-	163.11150	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe