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 147.6
[M+Na]+ 255.03762 154.8
[M-H]- 231.04112 152.9
[M+NH4]+ 250.08222 163.0
[M+K]+ 271.01156 153.7
[M+H-H2O]+ 215.04566 140.1
[M+HCOO]- 277.04660 170.3
[M+CH3COO]- 291.06225 187.0
[M+Na-2H]- 253.02307 152.5
[M]+ 232.04785 148.3
[M]- 232.04895 148.3
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.