CID 68216604

2751615-06-0

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=C(C=NN1)C2=CN=C(N=C2)N
InChI
InChI=1S/C7H7N5/c8-7-9-1-5(2-10-7)6-3-11-12-4-6/h1-4H,(H,11,12)(H2,8,9,10)
InChIKey
DTHLRDGDWJISFY-UHFFFAOYSA-N
Compound name
5-(1H-pyrazol-4-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.07014 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.077416 131.6
[M+Na]+ 184.059358 141.1
[M-H]- 160.062864 131.9
[M+NH4]+ 179.103963 147.4
[M+K]+ 200.033298 137.0
[M+H-H2O]+ 144.067400 122.5
[M+HCOO]- 206.068341 152.8
[M+CH3COO]- 220.083991 144.0
[M+Na-2H]- 182.044806 139.1
[M]+ 161.06959142 128.0
[M]- 161.07068858 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe