CID 21859707

4-bromo-1-propyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CCCN1C=C(C=N1)Br
InChI
InChI=1S/C6H9BrN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKey
AHMASWNKUPTGAT-UHFFFAOYSA-N
Compound name
4-bromo-1-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

187.9949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 137.4
[M+Na]+ 210.98412 140.3
[M+NH4]+ 206.02872 142.2
[M+K]+ 226.95806 141.4
[M-H]- 186.98762 136.8
[M+Na-2H]- 208.96957 140.2
[M]+ 187.99435 136.4
[M]- 187.99545 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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