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

161
Patents

160.95886 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.966136 122.6
[M+Na]+ 183.948078 135.4
[M-H]- 159.951584 125.2
[M+NH4]+ 178.992683 145.0
[M+K]+ 199.922018 124.3
[M+H-H2O]+ 143.956120 121.9
[M+HCOO]- 205.957061 143.8
[M+CH3COO]- 219.972711 172.6
[M+Na-2H]- 181.933526 130.7
[M]+ 160.95831142 137.5
[M]- 160.95940858 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