CID 519181

4-bromo-1,3,5-trimethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CC1=C(C(=NN1C)C)Br
InChI
InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChIKey
UNTQXOJGXGRHMG-UHFFFAOYSA-N
Compound name
4-bromo-1,3,5-trimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

187.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 136.6
[M+Na]+ 210.98412 140.1
[M+NH4]+ 206.02872 141.4
[M+K]+ 226.95806 141.6
[M-H]- 186.98762 136.1
[M+Na-2H]- 208.96957 139.0
[M]+ 187.99435 135.7
[M]- 187.99545 135.7
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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