CID 59589503

5-(bromomethyl)-1-methyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 132.9
[M+Na]+ 196.96848 136.0
[M+NH4]+ 192.01308 137.8
[M+K]+ 212.94242 137.3
[M-H]- 172.97198 132.3
[M+Na-2H]- 194.95393 135.9
[M]+ 173.97871 131.9
[M]- 173.97981 131.9
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