CID 62395919

2-(5-fluoropyridin-3-yl)butanoic acid

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CCC(C1=CC(=CN=C1)F)C(=O)O
InChI
InChI=1S/C9H10FNO2/c1-2-8(9(12)13)6-3-7(10)5-11-4-6/h3-5,8H,2H2,1H3,(H,12,13)
InChIKey
AVEMIADAMPAWEP-UHFFFAOYSA-N
Compound name
2-(5-fluoro-3-pyridinyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 136.5
[M+Na]+ 206.058768 144.2
[M-H]- 182.062274 136.3
[M+NH4]+ 201.103373 154.3
[M+K]+ 222.032708 142.2
[M+H-H2O]+ 166.066810 129.4
[M+HCOO]- 228.067751 155.9
[M+CH3COO]- 242.083401 180.0
[M+Na-2H]- 204.044216 140.5
[M]+ 183.06900142 135.2
[M]- 183.07009858 135.2
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.