CID 57367961

1240599-64-7

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C(C=C1)C2=C(OC=N2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)9-8(11-6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
FMAQWBASBDYDPJ-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.