CID 123444

2,2'-bipyrimidine

Structural Information

Molecular Formula

C₈H₆N₄

SMILES

C1=CN=C(N=C1)C2=NC=CC=N2

InChI

InChI=1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H

InChIKey

HKOAFLAGUQUJQG-UHFFFAOYSA-N

Compound name

2-pyrimidin-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 145
References: 2645
Patents: 158.05925 Da
Monoisotopic Mass: 0.2
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]+	159.06653	131.1
[M+Na]+	181.04847	147.3
[M+NH4]+	176.09307	139.3
[M+K]+	197.02241	139.9
[M-H]-	157.05197	133.8
[M+Na-2H]-	179.03392	142.6
[M]+	158.05870	134.2
[M]-	158.05980	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe