CID 3164329

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

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=COC(=C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C9H8N2O4/c12-8(13)4-3-7-10-9(11-15-7)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,12,13)
InChIKey
GPXYVWJULSGVSI-UHFFFAOYSA-N
Compound name
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

208.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 139.3
[M+Na]+ 231.03762 149.1
[M-H]- 207.04112 144.4
[M+NH4]+ 226.08222 155.4
[M+K]+ 247.01156 149.6
[M+H-H2O]+ 191.04566 132.6
[M+HCOO]- 253.04660 162.3
[M+CH3COO]- 267.06225 179.5
[M+Na-2H]- 229.02307 144.8
[M]+ 208.04785 144.7
[M]- 208.04895 144.7
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

No patent data available for this compound.