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-cyanopyridin-4-yl)oxyphenyl]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]+ 255.07642 158.1
[M+Na]+ 277.05836 167.8
[M-H]- 253.06186 160.9
[M+NH4]+ 272.10296 170.9
[M+K]+ 293.03230 163.0
[M+H-H2O]+ 237.06640 143.4
[M+HCOO]- 299.06734 175.7
[M+CH3COO]- 313.08299 202.9
[M+Na-2H]- 275.04381 162.2
[M]+ 254.06859 153.8
[M]- 254.06969 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.