CID 54594753

4,4-difluoropiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1CNCC(C1(F)F)C(=O)O
InChI
InChI=1S/C6H9F2NO2/c7-6(8)1-2-9-3-4(6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKey
KTLZLSOELJHEMZ-UHFFFAOYSA-N
Compound name
4,4-difluoropiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.06013 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.067406 131.6
[M+Na]+ 188.049348 138.3
[M-H]- 164.052854 128.2
[M+NH4]+ 183.093953 151.2
[M+K]+ 204.023288 136.2
[M+H-H2O]+ 148.057390 125.2
[M+HCOO]- 210.058331 145.9
[M+CH3COO]- 224.073981 170.9
[M+Na-2H]- 186.034796 135.4
[M]+ 165.05958142 122.7
[M]- 165.06067858 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe