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

3
Patents

193.09143 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098706 140.4
[M+Na]+ 216.080648 145.4
[M-H]- 192.084154 137.7
[M+NH4]+ 211.125253 157.4
[M+K]+ 232.054588 143.9
[M+H-H2O]+ 176.088690 132.4
[M+HCOO]- 238.089631 154.6
[M+CH3COO]- 252.105281 180.9
[M+Na-2H]- 214.066096 141.2
[M]+ 193.09088142 133.2
[M]- 193.09197858 133.2
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.