CID 19622792

1-(2,2-difluoroethyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
C1CN(CCC1C(=O)O)CC(F)F
InChI
InChI=1S/C8H13F2NO2/c9-7(10)5-11-3-1-6(2-4-11)8(12)13/h6-7H,1-5H2,(H,12,13)
InChIKey
YQRQKIMSLCJYDE-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09143 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09871 144.1
[M+Na]+ 216.08065 151.3
[M+NH4]+ 211.12525 149.5
[M+K]+ 232.05459 147.4
[M-H]- 192.08415 140.7
[M+Na-2H]- 214.06610 145.5
[M]+ 193.09088 143.6
[M]- 193.09198 143.6
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.