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]+ 189.997436 130.6
[M+Na]+ 211.979378 143.9
[M-H]- 187.982884 134.6
[M+NH4]+ 207.023983 153.0
[M+K]+ 227.953318 133.2
[M+H-H2O]+ 171.987420 129.6
[M+HCOO]- 233.988361 152.6
[M+CH3COO]- 248.004011 181.7
[M+Na-2H]- 209.964826 137.5
[M]+ 188.98961142 148.3
[M]- 188.99070858 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.