CID 119030797

4-bromo-5-cyclobutyl-1h-pyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CC(C1)C2=C(C=NN2)Br
InChI
InChI=1S/C7H9BrN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)
InChIKey
VLYANEUKGQQIGS-UHFFFAOYSA-N
Compound name
4-bromo-5-cyclobutyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 126.2
[M+Na]+ 222.98412 136.8
[M-H]- 198.98762 131.8
[M+NH4]+ 218.02872 141.7
[M+K]+ 238.95806 128.9
[M+H-H2O]+ 182.99216 121.5
[M+HCOO]- 244.99310 144.7
[M+CH3COO]- 259.00875 181.7
[M+Na-2H]- 220.96957 133.3
[M]+ 199.99435 149.5
[M]- 199.99545 149.5
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.