CID 53393791

2-(5-oxazolyl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₇NO₃

SMILES

C1=CC=C(C(=C1)C2=CN=CO2)C(=O)O

InChI

InChI=1S/C10H7NO3/c12-10(13)8-4-2-1-3-7(8)9-5-11-6-14-9/h1-6H,(H,12,13)

InChIKey

FFTGSVWPWKVLMS-UHFFFAOYSA-N

Compound name

2-(1,3-oxazol-5-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 189.04259 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.049866	136.3
[M+Na]+	212.031808	145.0
[M-H]-	188.035314	141.7
[M+NH4]+	207.076413	154.1
[M+K]+	228.005748	143.7
[M+H-H2O]+	172.039850	129.6
[M+HCOO]-	234.040791	159.0
[M+CH3COO]-	248.056441	177.2
[M+Na-2H]-	210.017256	142.4
[M]+	189.04204142	137.4
[M]-	189.04313858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe