CID 83867133

4-bromo-3-methoxy-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C4H6BrN3O
SMILES
COC1=NNC(=C1Br)N
InChI
InChI=1S/C4H6BrN3O/c1-9-4-2(5)3(6)7-8-4/h1H3,(H3,6,7,8)
InChIKey
FCGFNFGZYISPAZ-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxy-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97670 129.4
[M+Na]+ 213.95864 142.4
[M-H]- 189.96214 132.2
[M+NH4]+ 209.00324 150.9
[M+K]+ 229.93258 131.5
[M+H-H2O]+ 173.96668 128.5
[M+HCOO]- 235.96762 150.4
[M+CH3COO]- 249.98327 178.4
[M+Na-2H]- 211.94409 136.3
[M]+ 190.96887 146.3
[M]- 190.96997 146.3
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.