CID 61724450

2-(4-((4-methylpyridin-2-yl)oxy)phenyl)acetic acid

Structural Information

Molecular Formula
C14H13NO3
SMILES
CC1=CC(=NC=C1)OC2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H13NO3/c1-10-6-7-15-13(8-10)18-12-4-2-11(3-5-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKey
BZVCSKJCOAVBFE-UHFFFAOYSA-N
Compound name
2-[4-(4-methylpyridin-2-yl)oxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 154.1
[M+Na]+ 266.07876 168.3
[M+NH4]+ 261.12336 161.4
[M+K]+ 282.05270 161.8
[M-H]- 242.08226 157.0
[M+Na-2H]- 264.06421 162.5
[M]+ 243.08899 156.9
[M]- 243.09009 156.9
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.