CID 62633718

4-bromo-5-cyclopentyl-1h-pyrazole

Structural Information

Molecular Formula
C8H11BrN2
SMILES
C1CCC(C1)C2=C(C=NN2)Br
InChI
InChI=1S/C8H11BrN2/c9-7-5-10-11-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)
InChIKey
TXVIOQGNPMZMMJ-UHFFFAOYSA-N
Compound name
4-bromo-5-cyclopentyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 142.9
[M+Na]+ 236.999778 153.9
[M-H]- 213.003284 148.5
[M+NH4]+ 232.044383 165.3
[M+K]+ 252.973718 143.3
[M+H-H2O]+ 197.007820 142.3
[M+HCOO]- 259.008761 161.9
[M+CH3COO]- 273.024411 157.4
[M+Na-2H]- 234.985226 146.8
[M]+ 214.01001142 157.1
[M]- 214.01110858 157.1
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

patents stripe