CID 605717

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

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CC1=NN(C(=C1Br)N)C
InChI
InChI=1S/C5H8BrN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKey
XZVCZZLJWIYRMT-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 137.1
[M+Na]+ 211.97938 139.4
[M+NH4]+ 207.02398 141.4
[M+K]+ 227.95332 141.6
[M-H]- 187.98288 136.6
[M+Na-2H]- 209.96483 138.9
[M]+ 188.98961 135.9
[M]- 188.99071 135.9
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

patents stripe