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]+ 206.04478 139.0
[M+Na]+ 228.02672 147.6
[M-H]- 204.03022 144.4
[M+NH4]+ 223.07132 156.1
[M+K]+ 244.00066 146.9
[M+H-H2O]+ 188.03476 132.1
[M+HCOO]- 250.03570 161.9
[M+CH3COO]- 264.05135 179.4
[M+Na-2H]- 226.01217 145.2
[M]+ 205.03695 141.5
[M]- 205.03805 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.