CID 54593304

5-(1h-pyrazol-1-yl)pyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 126.9
[M+Na]+ 169.04847 136.6
[M-H]- 145.05197 128.4
[M+NH4]+ 164.09307 144.2
[M+K]+ 185.02241 134.0
[M+H-H2O]+ 129.05651 117.4
[M+HCOO]- 191.05745 149.0
[M+CH3COO]- 205.07310 140.4
[M+Na-2H]- 167.03392 136.0
[M]+ 146.05870 126.3
[M]- 146.05980 126.3
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