CID 69157582

Methyl 5-amino-4-bromo-1h-pyrazole-3-carboxylate hydrobromide

Structural Information

Molecular Formula
C5H6BrN3O2
SMILES
COC(=O)C1=C(C(=NN1)N)Br
InChI
InChI=1S/C5H6BrN3O2/c1-11-5(10)3-2(6)4(7)9-8-3/h1H3,(H3,7,8,9)
InChIKey
VQCLUHFFNGRFCC-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-bromo-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.96434 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97162 135.9
[M+Na]+ 241.95356 148.4
[M-H]- 217.95706 138.7
[M+NH4]+ 236.99816 156.1
[M+K]+ 257.92750 137.6
[M+H-H2O]+ 201.96160 134.7
[M+HCOO]- 263.96254 156.0
[M+CH3COO]- 277.97819 182.6
[M+Na-2H]- 239.93901 141.1
[M]+ 218.96379 153.1
[M]- 218.96489 153.1
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

patents stripe