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]+ 175.98178 127.1
[M+Na]+ 197.96372 140.3
[M-H]- 173.96722 130.0
[M+NH4]+ 193.00832 149.3
[M+K]+ 213.93766 129.0
[M+H-H2O]+ 157.97176 126.5
[M+HCOO]- 219.97270 148.0
[M+CH3COO]- 233.98835 176.5
[M+Na-2H]- 195.94917 134.0
[M]+ 174.97395 142.7
[M]- 174.97505 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.