CID 72183255

4-bromo-5-(tert-butyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C7H12BrN3
SMILES
CC(C)(C)C1=C(C(=NN1)N)Br
InChI
InChI=1S/C7H12BrN3/c1-7(2,3)5-4(8)6(9)11-10-5/h1-3H3,(H3,9,10,11)
InChIKey
GRKPPXBYKINTCX-UHFFFAOYSA-N
Compound name
4-bromo-5-tert-butyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02145 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02873 142.8
[M+Na]+ 240.01067 155.2
[M-H]- 216.01417 145.5
[M+NH4]+ 235.05527 163.5
[M+K]+ 255.98461 143.4
[M+H-H2O]+ 200.01871 142.2
[M+HCOO]- 262.01965 161.1
[M+CH3COO]- 276.03530 184.7
[M+Na-2H]- 237.99612 148.6
[M]+ 217.02090 158.7
[M]- 217.02200 158.7
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.