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]+ 233.055676 147.6
[M+Na]+ 255.037618 154.8
[M-H]- 231.041124 152.9
[M+NH4]+ 250.082223 163.0
[M+K]+ 271.011558 153.7
[M+H-H2O]+ 215.045660 140.1
[M+HCOO]- 277.046601 170.3
[M+CH3COO]- 291.062251 187.0
[M+Na-2H]- 253.023066 152.5
[M]+ 232.04785142 148.3
[M]- 232.04894858 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.