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]+ 147.06653 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

No literature data available for this compound.

Patent stripe

patents stripe