CID 19619846

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

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CCN1C=C(C(=N1)N)Br
InChI
InChI=1S/C5H8BrN3/c1-2-9-3-4(6)5(7)8-9/h3H,2H2,1H3,(H2,7,8)
InChIKey
NCESDSGUTSIAKE-UHFFFAOYSA-N
Compound name
4-bromo-1-ethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99016 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 130.6
[M+Na]+ 211.97938 143.9
[M-H]- 187.98288 134.6
[M+NH4]+ 207.02398 153.0
[M+K]+ 227.95332 133.2
[M+H-H2O]+ 171.98742 129.6
[M+HCOO]- 233.98836 152.6
[M+CH3COO]- 248.00401 181.7
[M+Na-2H]- 209.96483 137.5
[M]+ 188.98961 148.3
[M]- 188.99071 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.