CID 3087487

Pyrimidine, 4,6-bis(1h-pyrazol-1-yl)-

Structural Information

Molecular Formula
C10H8N6
SMILES
C1=CN(N=C1)C2=CC(=NC=N2)N3C=CC=N3
InChI
InChI=1S/C10H8N6/c1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16/h1-8H
InChIKey
ITORZLJASZQARK-UHFFFAOYSA-N
Compound name
4,6-di(pyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

212.08104 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08832 142.3
[M+Na]+ 235.07026 153.8
[M-H]- 211.07376 145.5
[M+NH4]+ 230.11486 155.8
[M+K]+ 251.04420 149.4
[M+H-H2O]+ 195.07830 130.9
[M+HCOO]- 257.07924 164.0
[M+CH3COO]- 271.09489 154.9
[M+Na-2H]- 233.05571 148.8
[M]+ 212.08049 143.8
[M]- 212.08159 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe