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 137.3
[M+Na]+ 211.97938 139.3
[M+NH4]+ 207.02398 141.6
[M+K]+ 227.95332 141.3
[M-H]- 187.98288 136.8
[M+Na-2H]- 209.96483 139.4
[M]+ 188.98961 136.0
[M]- 188.99071 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.