CID 65440838

3-(5-fluoropyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C8H8FNO2
SMILES
C1=C(C=NC=C1F)CCC(=O)O
InChI
InChI=1S/C8H8FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12)
InChIKey
SEZIDHKMGVYRTB-UHFFFAOYSA-N
Compound name
3-(5-fluoro-3-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.05391 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.8
[M+Na]+ 192.043128 140.2
[M-H]- 168.046634 131.6
[M+NH4]+ 187.087733 150.2
[M+K]+ 208.017068 137.9
[M+H-H2O]+ 152.051170 124.7
[M+HCOO]- 214.052111 152.5
[M+CH3COO]- 228.067761 176.1
[M+Na-2H]- 190.028576 137.6
[M]+ 169.05336142 130.7
[M]- 169.05445858 130.7
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

patents stripe