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]+ 189.997436 131.6
[M+Na]+ 211.979378 144.4
[M-H]- 187.982884 134.3
[M+NH4]+ 207.023983 153.3
[M+K]+ 227.953318 132.8
[M+H-H2O]+ 171.987420 130.8
[M+HCOO]- 233.988361 152.1
[M+CH3COO]- 248.004011 179.3
[M+Na-2H]- 209.964826 138.0
[M]+ 188.98961142 147.6
[M]- 188.99070858 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.