CID 55254717

4-bromo-3-ethyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CCC1=C(C(=NN1)N)Br
InChI
InChI=1S/C5H8BrN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKey
KHUIFIOOCHXSNS-UHFFFAOYSA-N
Compound name
4-bromo-5-ethyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 131.6
[M+Na]+ 211.97938 144.4
[M-H]- 187.98288 134.3
[M+NH4]+ 207.02398 153.3
[M+K]+ 227.95332 132.8
[M+H-H2O]+ 171.98742 130.8
[M+HCOO]- 233.98836 152.1
[M+CH3COO]- 248.00401 179.3
[M+Na-2H]- 209.96483 138.0
[M]+ 188.98961 147.6
[M]- 188.99071 147.6
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.