CID 64258950

Potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1C(CN1CC(F)F)C(=O)O
InChI
InChI=1S/C6H9F2NO2/c7-5(8)3-9-1-4(2-9)6(10)11/h4-5H,1-3H2,(H,10,11)
InChIKey
WMCNAQYAEXERCL-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.06013 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.067406 133.2
[M+Na]+ 188.049348 138.8
[M-H]- 164.052854 131.4
[M+NH4]+ 183.093953 145.1
[M+K]+ 204.023288 141.0
[M+H-H2O]+ 148.057390 120.7
[M+HCOO]- 210.058331 149.0
[M+CH3COO]- 224.073981 180.0
[M+Na-2H]- 186.034796 134.8
[M]+ 165.05958142 137.6
[M]- 165.06067858 137.6
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.