CID 44542618

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

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=COC=C1C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C9H8N2O4/c12-8(13)2-1-7-10-9(11-15-7)6-3-4-14-5-6/h3-5H,1-2H2,(H,12,13)
InChIKey
SDHOVKREXIVDMG-UHFFFAOYSA-N
Compound name
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 140.5
[M+Na]+ 231.03762 152.2
[M+NH4]+ 226.08222 146.4
[M+K]+ 247.01156 152.8
[M-H]- 207.04112 143.1
[M+Na-2H]- 229.02307 145.6
[M]+ 208.04785 142.6
[M]- 208.04895 142.6
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.