CID 88747

20980-22-7

Structural Information

Molecular Formula

C₈H₁₂N₄

SMILES

C1CN(CCN1)C2=NC=CC=N2

InChI

InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2

InChIKey

MRBFGEHILMYPTF-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 118
References: 6269
Patents: 164.1062 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]+	165.11348	137.3
[M+Na]+	187.09542	143.0
[M-H]-	163.09892	136.0
[M+NH4]+	182.14002	150.9
[M+K]+	203.06936	139.4
[M+H-H2O]+	147.10346	127.4
[M+HCOO]-	209.10440	152.3
[M+CH3COO]-	223.12005	147.5
[M+Na-2H]-	185.08087	145.0
[M]+	164.10565	130.0
[M]-	164.10675	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe