CID 130115875

5-bromo-3-cyclopropyl-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CCN1C(=CC(=N1)C2CC2)Br
InChI
InChI=1S/C8H11BrN2/c1-2-11-8(9)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKey
PVEMCLIHZKCVMP-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 143.5
[M+Na]+ 236.999778 158.4
[M-H]- 213.003284 151.4
[M+NH4]+ 232.044383 161.0
[M+K]+ 252.973718 146.7
[M+H-H2O]+ 197.007820 142.3
[M+HCOO]- 259.008761 164.7
[M+CH3COO]- 273.024411 188.1
[M+Na-2H]- 234.985226 149.5
[M]+ 214.01001142 164.1
[M]- 214.01110858 164.1
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.