CID 80365128

4-bromo-1-tert-butyl-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C7H12BrN3
SMILES
CC(C)(C)N1C(=C(C=N1)Br)N
InChI
InChI=1S/C7H12BrN3/c1-7(2,3)11-6(9)5(8)4-10-11/h4H,9H2,1-3H3
InChIKey
FCFQEBUFGRKYKZ-UHFFFAOYSA-N
Compound name
4-bromo-2-tert-butylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02145 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02873 141.7
[M+Na]+ 240.01067 154.6
[M-H]- 216.01417 145.8
[M+NH4]+ 235.05527 163.2
[M+K]+ 255.98461 143.8
[M+H-H2O]+ 200.01871 141.0
[M+HCOO]- 262.01965 161.5
[M+CH3COO]- 276.03530 187.1
[M+Na-2H]- 237.99612 148.1
[M]+ 217.02090 159.5
[M]- 217.02200 159.5
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.