CID 25219331

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

187.9949 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.002176 130.5
[M+Na]+ 210.984118 144.5
[M-H]- 186.987624 135.0
[M+NH4]+ 206.028723 153.7
[M+K]+ 226.958058 134.4
[M+H-H2O]+ 170.992160 130.4
[M+HCOO]- 232.993101 152.0
[M+CH3COO]- 247.008751 180.8
[M+Na-2H]- 208.969566 137.8
[M]+ 187.99435142 150.4
[M]- 187.99544858 150.4
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