CID 62925914

2-{4-[(2-cyanopyridin-4-yl)oxy]phenyl}acetic acid

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC(=CC=C1CC(=O)O)OC2=CC(=NC=C2)C#N
InChI
InChI=1S/C14H10N2O3/c15-9-11-8-13(5-6-16-11)19-12-3-1-10(2-4-12)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKey
QFEYWPXBMRNHBI-UHFFFAOYSA-N
Compound name
2-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.076416 158.1
[M+Na]+ 277.058358 167.8
[M-H]- 253.061864 160.9
[M+NH4]+ 272.102963 170.9
[M+K]+ 293.032298 163.0
[M+H-H2O]+ 237.066400 143.4
[M+HCOO]- 299.067341 175.7
[M+CH3COO]- 313.082991 202.9
[M+Na-2H]- 275.043806 162.2
[M]+ 254.06859142 153.8
[M]- 254.06968858 153.8
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.