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-fluoropyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.05391 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 134.0
[M+Na]+ 192.04313 145.5
[M+NH4]+ 187.08773 140.8
[M+K]+ 208.01707 140.2
[M-H]- 168.04663 133.1
[M+Na-2H]- 190.02858 139.5
[M]+ 169.05336 135.1
[M]- 169.05446 135.1
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