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

161
Patents

173.97926 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.986536 126.4
[M+Na]+ 196.968478 139.9
[M-H]- 172.971984 130.8
[M+NH4]+ 192.013083 149.9
[M+K]+ 212.942418 130.2
[M+H-H2O]+ 156.976520 126.3
[M+HCOO]- 218.977461 148.2
[M+CH3COO]- 232.993111 177.0
[M+Na-2H]- 194.953926 134.9
[M]+ 173.97871142 145.7
[M]- 173.97980858 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