CID 132372766

3,3-difluoro-2-(1h-pyrazol-1-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H9F2N3
SMILES
C1=CN(N=C1)C(CN)C(F)F
InChI
InChI=1S/C6H9F2N3/c7-6(8)5(4-9)11-3-1-2-10-11/h1-3,5-6H,4,9H2
InChIKey
HRMDZCFDOYJNHY-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-pyrazol-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07645 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.083726 130.3
[M+Na]+ 184.065668 137.5
[M-H]- 160.069174 128.1
[M+NH4]+ 179.110273 149.3
[M+K]+ 200.039608 136.2
[M+H-H2O]+ 144.073710 121.1
[M+HCOO]- 206.074651 150.3
[M+CH3COO]- 220.090301 179.1
[M+Na-2H]- 182.051116 133.5
[M]+ 161.07590142 125.5
[M]- 161.07699858 125.5
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

No patent data available for this compound.