CID 5073229

4-(1h-pyrazol-4-yl)pyrimidine

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CN=CN=C1C2=CNN=C2
InChI
InChI=1S/C7H6N4/c1-2-8-5-9-7(1)6-3-10-11-4-6/h1-5H,(H,10,11)
InChIKey
XHWTWNCQBNQUDK-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

146.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 127.5
[M+Na]+ 169.04847 136.8
[M-H]- 145.05197 127.8
[M+NH4]+ 164.09307 144.2
[M+K]+ 185.02241 133.3
[M+H-H2O]+ 129.05651 118.4
[M+HCOO]- 191.05745 148.1
[M+CH3COO]- 205.07310 140.4
[M+Na-2H]- 167.03392 136.2
[M]+ 146.05870 125.1
[M]- 146.05980 125.1
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