CID 68280734

3-bromo-1-cyclobutyl-1h-pyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CC(C1)N2C=CC(=N2)Br
InChI
InChI=1S/C7H9BrN2/c8-7-4-5-10(9-7)6-2-1-3-6/h4-6H,1-3H2
InChIKey
BKMNQQKNKFEHAQ-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclobutylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 136.2
[M+Na]+ 222.98412 135.4
[M+NH4]+ 218.02872 138.0
[M+K]+ 238.95806 138.3
[M-H]- 198.98762 134.5
[M+Na-2H]- 220.96957 137.8
[M]+ 199.99435 133.3
[M]- 199.99545 133.3
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