CID 16227615

5-ethoxy-2-(furan-2-yl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H9NO5
SMILES
CCOC1=C(N=C(O1)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C10H9NO5/c1-2-14-10-7(9(12)13)11-8(16-10)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
NDWPEVUEZXXLSB-UHFFFAOYSA-N
Compound name
5-ethoxy-2-(furan-2-yl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 142.4
[M+Na]+ 246.037288 152.5
[M-H]- 222.040794 149.2
[M+NH4]+ 241.081893 159.6
[M+K]+ 262.011228 153.5
[M+H-H2O]+ 206.045330 136.8
[M+HCOO]- 268.046271 166.6
[M+CH3COO]- 282.061921 183.0
[M+Na-2H]- 244.022736 147.2
[M]+ 223.04752142 149.5
[M]- 223.04861858 149.5
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.