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]+ 189.002176 132.6
[M+Na]+ 210.984118 144.3
[M-H]- 186.987624 135.0
[M+NH4]+ 206.028723 154.4
[M+K]+ 226.958058 133.4
[M+H-H2O]+ 170.992160 132.1
[M+HCOO]- 232.993101 152.5
[M+CH3COO]- 247.008751 176.3
[M+Na-2H]- 208.969566 140.5
[M]+ 187.99435142 149.9
[M]- 187.99544858 149.9
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