CID 5307115

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKey
WKJJPENOGQVARC-UHFFFAOYSA-N
Compound name
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

262.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 158.4
[M+Na]+ 285.08459 170.4
[M+NH4]+ 280.12919 164.0
[M+K]+ 301.05853 167.7
[M-H]- 261.08809 160.3
[M+Na-2H]- 283.07004 163.6
[M]+ 262.09482 160.4
[M]- 262.09592 160.4
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

patents stripe