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]+ 176.108136 139.0
[M+Na]+ 198.090078 142.6
[M-H]- 174.093584 135.9
[M+NH4]+ 193.134683 155.7
[M+K]+ 214.064018 140.6
[M+H-H2O]+ 158.098120 132.0
[M+HCOO]- 220.099061 152.7
[M+CH3COO]- 234.114711 174.4
[M+Na-2H]- 196.075526 140.5
[M]+ 175.10031142 130.6
[M]- 175.10140858 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.