CID 57242220

3-bromo-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C3H4BrN3
SMILES
C1=NNC(=C1N)Br
InChI
InChI=1S/C3H4BrN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKey
AEQPCNLUSNRCHM-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

160.95886 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.96614 122.6
[M+Na]+ 183.94808 135.4
[M-H]- 159.95158 125.2
[M+NH4]+ 178.99268 145.0
[M+K]+ 199.92202 124.3
[M+H-H2O]+ 143.95612 121.9
[M+HCOO]- 205.95706 143.8
[M+CH3COO]- 219.97271 172.6
[M+Na-2H]- 181.93353 130.7
[M]+ 160.95831 137.5
[M]- 160.95941 137.5
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