CID 19619860

4-bromo-1,5-dimethyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CC1=C(C(=NN1C)N)Br
InChI
InChI=1S/C5H8BrN3/c1-3-4(6)5(7)8-9(3)2/h1-2H3,(H2,7,8)
InChIKey
WOQKPNJCYQBXDF-UHFFFAOYSA-N
Compound name
4-bromo-1,5-dimethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.99016 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 130.4
[M+Na]+ 211.97938 144.5
[M-H]- 187.98288 134.8
[M+NH4]+ 207.02398 153.1
[M+K]+ 227.95332 133.8
[M+H-H2O]+ 171.98742 129.7
[M+HCOO]- 233.98836 152.3
[M+CH3COO]- 248.00401 182.8
[M+Na-2H]- 209.96483 136.6
[M]+ 188.98961 148.4
[M]- 188.99071 148.4
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

patents stripe