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 140.4
[M+Na]+ 216.08065 145.4
[M-H]- 192.08415 137.7
[M+NH4]+ 211.12525 157.4
[M+K]+ 232.05459 143.9
[M+H-H2O]+ 176.08869 132.4
[M+HCOO]- 238.08963 154.6
[M+CH3COO]- 252.10528 180.9
[M+Na-2H]- 214.06610 141.2
[M]+ 193.09088 133.2
[M]- 193.09198 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.