CID 84661821

5-bromo-1-ethyl-3-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CCN1C(=CC(=N1)C)Br
InChI
InChI=1S/C6H9BrN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
InChIKey
NMEIZBCGEUQTET-UHFFFAOYSA-N
Compound name
5-bromo-1-ethyl-3-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 137.0
[M+Na]+ 210.98412 140.2
[M+NH4]+ 206.02872 141.7
[M+K]+ 226.95806 141.5
[M-H]- 186.98762 136.4
[M+Na-2H]- 208.96957 139.5
[M]+ 187.99435 136.0
[M]- 187.99545 136.0
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