CID 57416971

4-bromo-1-cyclohexyl-1h-pyrazole

Structural Information

Molecular Formula
C9H13BrN2
SMILES
C1CCC(CC1)N2C=C(C=N2)Br
InChI
InChI=1S/C9H13BrN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKey
ATXUIOFYFBFTSE-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclohexylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

228.02621 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.033486 144.7
[M+Na]+ 251.015428 154.6
[M-H]- 227.018934 150.8
[M+NH4]+ 246.060033 165.4
[M+K]+ 266.989368 144.3
[M+H-H2O]+ 211.023470 143.5
[M+HCOO]- 273.024411 162.5
[M+CH3COO]- 287.040061 158.7
[M+Na-2H]- 249.000876 150.0
[M]+ 228.02566142 159.0
[M]- 228.02675858 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe