CID 18328171

2-(piperidin-2-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CCNC(C1)C2=NC=CC=N2

InChI

InChI=1S/C9H13N3/c1-2-5-10-8(4-1)9-11-6-3-7-12-9/h3,6-8,10H,1-2,4-5H2

InChIKey

IHSZCLIJZRUESK-UHFFFAOYSA-N

Compound name

2-piperidin-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 163.11095 Da
Monoisotopic Mass: 0.5
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	136.5
[M+Na]+	186.10017	141.8
[M-H]-	162.10367	136.6
[M+NH4]+	181.14477	151.7
[M+K]+	202.07411	138.3
[M+H-H2O]+	146.10821	127.4
[M+HCOO]-	208.10915	152.6
[M+CH3COO]-	222.12480	147.2
[M+Na-2H]-	184.08562	143.8
[M]+	163.11040	129.1
[M]-	163.11150	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe