CID 129846031

2167788-07-8

Structural Information

Molecular Formula

C₈H₇N₅

SMILES

C1=CN=C(N=C1)C2=CN=C(N=C2)N

InChI

InChI=1S/C8H7N5/c9-8-12-4-6(5-13-8)7-10-2-1-3-11-7/h1-5H,(H2,9,12,13)

InChIKey

YOYKBUCQHFKKBC-UHFFFAOYSA-N

Compound name

5-pyrimidin-2-ylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.07014 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]+	174.07742	136.1
[M+Na]+	196.05936	145.6
[M-H]-	172.06286	137.3
[M+NH4]+	191.10396	150.1
[M+K]+	212.03330	141.5
[M+H-H2O]+	156.06740	126.3
[M+HCOO]-	218.06834	157.4
[M+CH3COO]-	232.08399	148.4
[M+Na-2H]-	194.04481	146.4
[M]+	173.06959	133.7
[M]-	173.07069	133.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.