CID 4390886

2-(1h-pyrazol-4-yl)pyrazine

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CN=C(C=N1)C2=CNN=C2
InChI
InChI=1S/C7H6N4/c1-2-9-7(5-8-1)6-3-10-11-4-6/h1-5H,(H,10,11)
InChIKey
RJLTUYDPHVYZIR-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-4-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

146.05925 Da
Monoisotopic Mass

-0.3
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

literature stripe

Patent stripe

patents stripe