CID 3159642

328083-96-1

Structural Information

Molecular Formula

C₁₀H₉N₃O₃

SMILES

C1=CN=CC=C1C2=NOC(=N2)CCC(=O)O

InChI

InChI=1S/C10H9N3O3/c14-9(15)2-1-8-12-10(13-16-8)7-3-5-11-6-4-7/h3-6H,1-2H2,(H,14,15)

InChIKey

QQAOPUYDACUNLY-UHFFFAOYSA-N

Compound name

3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 219.06439 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.07167	146.1
[M+Na]+	242.05361	158.6
[M+NH4]+	237.09821	151.9
[M+K]+	258.02755	156.1
[M-H]-	218.05711	147.6
[M+Na-2H]-	240.03906	152.3
[M]+	219.06384	148.0
[M]-	219.06494	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe