CID 3159643

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

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C10H9N3O3/c14-9(15)4-3-8-12-10(13-16-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,15)
InChIKey
XFXBCTUNCOJZGA-UHFFFAOYSA-N
Compound name
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

219.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.1
[M+Na]+ 242.05361 153.7
[M-H]- 218.05711 147.5
[M+NH4]+ 237.09821 158.8
[M+K]+ 258.02755 152.0
[M+H-H2O]+ 202.06165 136.3
[M+HCOO]- 264.06259 164.9
[M+CH3COO]- 278.07824 182.9
[M+Na-2H]- 240.03906 150.8
[M]+ 219.06384 147.0
[M]- 219.06494 147.0
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