CID 56992896

2-(1h-pyrazol-4-yl)pyrimidine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

146.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.066526 127.5
[M+Na]+ 169.048468 136.8
[M-H]- 145.051974 127.8
[M+NH4]+ 164.093073 144.2
[M+K]+ 185.022408 133.3
[M+H-H2O]+ 129.056510 118.4
[M+HCOO]- 191.057451 148.1
[M+CH3COO]- 205.073101 140.4
[M+Na-2H]- 167.033916 136.2
[M]+ 146.05870142 125.1
[M]- 146.05979858 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

No literature data available for this compound.

Patent stripe

patents stripe