CID 17541238

2-[4-(pyridin-2-yloxy)phenoxy]acetic acid

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1=CC=NC(=C1)OC2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C13H11NO4/c15-13(16)9-17-10-4-6-11(7-5-10)18-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChIKey
PRUVYXVNYCDREU-UHFFFAOYSA-N
Compound name
2-(4-pyridin-2-yloxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 151.6
[M+Na]+ 268.05802 158.7
[M-H]- 244.06152 155.6
[M+NH4]+ 263.10262 166.2
[M+K]+ 284.03196 156.2
[M+H-H2O]+ 228.06606 143.2
[M+HCOO]- 290.06700 173.5
[M+CH3COO]- 304.08265 188.5
[M+Na-2H]- 266.04347 157.9
[M]+ 245.06825 153.6
[M]- 245.06935 153.6
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