CID 105436065

2-fluoro-3-(piperidin-4-yl)propanoicacid

Structural Information

Molecular Formula
C8H14FNO2
SMILES
C1CNCCC1CC(C(=O)O)F
InChI
InChI=1S/C8H14FNO2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h6-7,10H,1-5H2,(H,11,12)
InChIKey
ZVDIFWAAFNYXCJ-UHFFFAOYSA-N
Compound name
2-fluoro-3-piperidin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10086 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10814 139.0
[M+Na]+ 198.09008 142.6
[M-H]- 174.09358 135.9
[M+NH4]+ 193.13468 155.7
[M+K]+ 214.06402 140.6
[M+H-H2O]+ 158.09812 132.0
[M+HCOO]- 220.09906 152.7
[M+CH3COO]- 234.11471 174.4
[M+Na-2H]- 196.07553 140.5
[M]+ 175.10031 130.6
[M]- 175.10141 130.6
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.