CID 13549439

3-(bromomethyl)-1-methyl-1h-pyrazole hydrobromide

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CN1C=CC(=N1)CBr
InChI
InChI=1S/C5H7BrN2/c1-8-3-2-5(4-6)7-8/h2-3H,4H2,1H3
InChIKey
MYHUFJLABUEBLV-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

173.97926 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 126.4
[M+Na]+ 196.96848 139.9
[M-H]- 172.97198 130.8
[M+NH4]+ 192.01308 149.9
[M+K]+ 212.94242 130.2
[M+H-H2O]+ 156.97652 126.3
[M+HCOO]- 218.97746 148.2
[M+CH3COO]- 232.99311 177.0
[M+Na-2H]- 194.95393 134.9
[M]+ 173.97871 145.7
[M]- 173.97981 145.7
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