CID 104571539

Lithium(1+) 3-phenyl-2-(pyridin-4-yl)propanoate

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1=CC=C(C=C1)CC(C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C14H13NO2/c16-14(17)13(12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h1-9,13H,10H2,(H,16,17)
InChIKey
QYXONJGDVVPKAK-UHFFFAOYSA-N
Compound name
3-phenyl-2-pyridin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 151.2
[M+Na]+ 250.08386 164.8
[M+NH4]+ 245.12846 159.1
[M+K]+ 266.05780 158.2
[M-H]- 226.08736 154.3
[M+Na-2H]- 248.06931 160.2
[M]+ 227.09409 154.0
[M]- 227.09519 154.0
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.