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

0
Patents

165.06013 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 133.2
[M+Na]+ 188.04935 138.8
[M-H]- 164.05285 131.4
[M+NH4]+ 183.09395 145.1
[M+K]+ 204.02329 141.0
[M+H-H2O]+ 148.05739 120.7
[M+HCOO]- 210.05833 149.0
[M+CH3COO]- 224.07398 180.0
[M+Na-2H]- 186.03480 134.8
[M]+ 165.05958 137.6
[M]- 165.06068 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.