CID 135541341

(z)-2-hydroxy-3-(5-phenoxy-2-pyridyl)prop-2-enoic acid

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C=C1)OC2=CN=C(C=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C14H11NO4/c16-13(14(17)18)8-10-6-7-12(9-15-10)19-11-4-2-1-3-5-11/h1-9,16H,(H,17,18)/b13-8-
InChIKey
GIOIXONIPULQSV-JYRVWZFOSA-N
Compound name
(Z)-2-hydroxy-3-(5-phenoxypyridin-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.06882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 155.7
[M+Na]+ 280.05804 162.1
[M-H]- 256.06154 158.4
[M+NH4]+ 275.10264 169.1
[M+K]+ 296.03198 158.4
[M+H-H2O]+ 240.06608 147.7
[M+HCOO]- 302.06702 175.0
[M+CH3COO]- 316.08267 188.6
[M+Na-2H]- 278.04349 159.9
[M]+ 257.06827 154.9
[M]- 257.06937 154.9
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

No patent data available for this compound.