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]+ 201.002176 126.2
[M+Na]+ 222.984118 136.8
[M-H]- 198.987624 131.8
[M+NH4]+ 218.028723 141.7
[M+K]+ 238.958058 128.9
[M+H-H2O]+ 182.992160 121.5
[M+HCOO]- 244.993101 144.7
[M+CH3COO]- 259.008751 181.7
[M+Na-2H]- 220.969566 133.3
[M]+ 199.99435142 149.5
[M]- 199.99544858 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.