CID 26967272

143659-16-9

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=COC(=C1)C2=C(N=CO2)C(=O)O
InChI
InChI=1S/C8H5NO4/c10-8(11)6-7(13-4-9-6)5-2-1-3-12-5/h1-4H,(H,10,11)
InChIKey
CCXPRYRXBDOPCD-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.02185 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02913 130.5
[M+Na]+ 202.01107 140.8
[M-H]- 178.01457 137.3
[M+NH4]+ 197.05567 149.3
[M+K]+ 217.98501 141.7
[M+H-H2O]+ 162.01911 125.2
[M+HCOO]- 224.02005 155.2
[M+CH3COO]- 238.03570 173.7
[M+Na-2H]- 199.99652 137.0
[M]+ 179.02130 135.2
[M]- 179.02240 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

patents stripe