CID 61803329

3-(1,2-oxazole-3-amido)benzoic acid

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC(=CC(=C1)NC(=O)C2=NOC=C2)C(=O)O
InChI
InChI=1S/C11H8N2O4/c14-10(9-4-5-17-13-9)12-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,12,14)(H,15,16)
InChIKey
HQPULCWYOCIZCU-UHFFFAOYSA-N
Compound name
3-(1,2-oxazole-3-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 149.0
[M+Na]+ 255.03762 159.6
[M+NH4]+ 250.08222 154.8
[M+K]+ 271.01156 158.0
[M-H]- 231.04112 151.5
[M+Na-2H]- 253.02307 154.7
[M]+ 232.04785 150.8
[M]- 232.04895 150.8
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.