CID 62719279

4-(3-bromopropyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
C1=C(C=NN1)CCCBr
InChI
InChI=1S/C6H9BrN2/c7-3-1-2-6-4-8-9-5-6/h4-5H,1-3H2,(H,8,9)
InChIKey
RHXMDWPVXJQNIU-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 138.9
[M+Na]+ 210.98412 141.0
[M+NH4]+ 206.02872 143.3
[M+K]+ 226.95806 142.1
[M-H]- 186.98762 137.7
[M+Na-2H]- 208.96957 141.2
[M]+ 187.99435 137.5
[M]- 187.99545 137.5
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