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]+ 229.033486 147.7
[M+Na]+ 251.015428 162.3
[M-H]- 227.018934 155.5
[M+NH4]+ 246.060033 164.7
[M+K]+ 266.989368 150.3
[M+H-H2O]+ 211.023470 146.4
[M+HCOO]- 273.024411 168.6
[M+CH3COO]- 287.040061 190.8
[M+Na-2H]- 249.000876 153.2
[M]+ 228.02566142 168.6
[M]- 228.02675858 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.