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]+ 209.055676 139.3
[M+Na]+ 231.037618 149.1
[M-H]- 207.041124 144.4
[M+NH4]+ 226.082223 155.4
[M+K]+ 247.011558 149.6
[M+H-H2O]+ 191.045660 132.6
[M+HCOO]- 253.046601 162.3
[M+CH3COO]- 267.062251 179.5
[M+Na-2H]- 229.023066 144.8
[M]+ 208.04785142 144.7
[M]- 208.04894858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.