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]+ 224.05535 142.4
[M+Na]+ 246.03729 152.5
[M-H]- 222.04079 149.2
[M+NH4]+ 241.08189 159.6
[M+K]+ 262.01123 153.5
[M+H-H2O]+ 206.04533 136.8
[M+HCOO]- 268.04627 166.6
[M+CH3COO]- 282.06192 183.0
[M+Na-2H]- 244.02274 147.2
[M]+ 223.04752 149.5
[M]- 223.04862 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.