CID 7127813

3-(1,3-oxazol-5-yl)benzoic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CN=CO2
InChI
InChI=1S/C10H7NO3/c12-10(13)8-3-1-2-7(4-8)9-5-11-6-14-9/h1-6H,(H,12,13)
InChIKey
GDGXRJDVOKNSCX-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

189.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 137.6
[M+Na]+ 212.03181 150.6
[M+NH4]+ 207.07641 145.2
[M+K]+ 228.00575 147.5
[M-H]- 188.03531 140.9
[M+Na-2H]- 210.01726 144.9
[M]+ 189.04204 140.3
[M]- 189.04314 140.3
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

patents stripe