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 131.8
[M+Na]+ 192.04313 140.2
[M-H]- 168.04663 131.6
[M+NH4]+ 187.08773 150.2
[M+K]+ 208.01707 137.9
[M+H-H2O]+ 152.05117 124.7
[M+HCOO]- 214.05211 152.5
[M+CH3COO]- 228.06776 176.1
[M+Na-2H]- 190.02858 137.6
[M]+ 169.05336 130.7
[M]- 169.05446 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