CID 75481154

4-chloro-2-cyclobutylpyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C10H10ClN3
SMILES
C1CC(C1)C2=NN3C=CN=C(C3=C2)Cl
InChI
InChI=1S/C10H10ClN3/c11-10-9-6-8(7-2-1-3-7)13-14(9)5-4-12-10/h4-7H,1-3H2
InChIKey
ROTCCMMTFHILAD-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclobutylpyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05632 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 135.0
[M+Na]+ 230.045538 145.8
[M-H]- 206.049044 138.7
[M+NH4]+ 225.090143 147.7
[M+K]+ 246.019478 143.6
[M+H-H2O]+ 190.053580 122.3
[M+HCOO]- 252.054521 151.2
[M+CH3COO]- 266.070171 148.2
[M+Na-2H]- 228.030986 142.0
[M]+ 207.05577142 146.1
[M]- 207.05686858 146.1
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

No patent data available for this compound.