CID 2797743

3-(6-phenoxy-pyridin-3-yl)-acrylic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)OC2=NC=C(C=C2)C=CC(=O)O
InChI
InChI=1S/C14H11NO3/c16-14(17)9-7-11-6-8-13(15-10-11)18-12-4-2-1-3-5-12/h1-10H,(H,16,17)
InChIKey
TWPKEZACBDVQNY-UHFFFAOYSA-N
Compound name
3-(6-phenoxypyridin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

241.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 152.4
[M+Na]+ 264.06312 159.7
[M-H]- 240.06662 156.4
[M+NH4]+ 259.10772 167.4
[M+K]+ 280.03706 155.7
[M+H-H2O]+ 224.07116 144.3
[M+HCOO]- 286.07210 174.0
[M+CH3COO]- 300.08775 187.9
[M+Na-2H]- 262.04857 158.2
[M]+ 241.07335 152.7
[M]- 241.07445 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe