CID 1241299

3-amino-4-bromo-5-methylpyrazole

Structural Information

Molecular Formula
C4H6BrN3
SMILES
CC1=C(C(=NN1)N)Br
InChI
InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKey
WZMBDMWFVPKYCF-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

174.9745 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.981776 127.1
[M+Na]+ 197.963718 140.3
[M-H]- 173.967224 130.0
[M+NH4]+ 193.008323 149.3
[M+K]+ 213.937658 129.0
[M+H-H2O]+ 157.971760 126.5
[M+HCOO]- 219.972701 148.0
[M+CH3COO]- 233.988351 176.5
[M+Na-2H]- 195.949166 134.0
[M]+ 174.97395142 142.7
[M]- 174.97504858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe