CID 50896550

4-bromo-3-cyclopropyl-1-propyl-1h-pyrazole

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CCCN1C=C(C(=N1)C2CC2)Br
InChI
InChI=1S/C9H13BrN2/c1-2-5-12-6-8(10)9(11-12)7-3-4-7/h6-7H,2-5H2,1H3
InChIKey
GOMHKFKQHDFEJB-UHFFFAOYSA-N
Compound name
4-bromo-3-cyclopropyl-1-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02621 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 147.7
[M+Na]+ 251.01543 162.3
[M-H]- 227.01893 155.5
[M+NH4]+ 246.06003 164.7
[M+K]+ 266.98937 150.3
[M+H-H2O]+ 211.02347 146.4
[M+HCOO]- 273.02441 168.6
[M+CH3COO]- 287.04006 190.8
[M+Na-2H]- 249.00088 153.2
[M]+ 228.02566 168.6
[M]- 228.02676 168.6
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.