CID 45157019

2-phenoxy-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC=C(C=C1)OC2=NC(=CO2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9(13)8-6-14-10(11-8)15-7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
MSLQXSBLPAZCKR-UHFFFAOYSA-N
Compound name
2-phenoxy-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 139.0
[M+Na]+ 228.026718 147.6
[M-H]- 204.030224 144.4
[M+NH4]+ 223.071323 156.1
[M+K]+ 244.000658 146.9
[M+H-H2O]+ 188.034760 132.1
[M+HCOO]- 250.035701 161.9
[M+CH3COO]- 264.051351 179.4
[M+Na-2H]- 226.012166 145.2
[M]+ 205.03695142 141.5
[M]- 205.03804858 141.5
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.