CID 56956186

Ethyl 5-amino-4-bromo-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H8BrN3O2
SMILES
CCOC(=O)C1=C(C(=NN1)N)Br
InChI
InChI=1S/C6H8BrN3O2/c1-2-12-6(11)4-3(7)5(8)10-9-4/h2H2,1H3,(H3,8,9,10)
InChIKey
SNDUYQIMXVXPDE-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-bromo-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.98728 147.3
[M+Na]+ 255.96922 147.5
[M+NH4]+ 251.01382 149.8
[M+K]+ 271.94316 151.1
[M-H]- 231.97272 144.9
[M+Na-2H]- 253.95467 147.3
[M]+ 232.97945 145.0
[M]- 232.98055 145.0
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.