CID 75356057

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

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=COC=C1C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChIKey
NBLAWCJCDVSVRQ-UHFFFAOYSA-N
Compound name
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02185 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.029126 130.5
[M+Na]+ 202.011068 140.8
[M-H]- 178.014574 137.3
[M+NH4]+ 197.055673 149.3
[M+K]+ 217.985008 141.7
[M+H-H2O]+ 162.019110 125.2
[M+HCOO]- 224.020051 155.2
[M+CH3COO]- 238.035701 173.7
[M+Na-2H]- 199.996516 137.0
[M]+ 179.02130142 135.2
[M]- 179.02239858 135.2
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.