CID 13152278

18718-84-8

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C(C=C1)C2=NOC=C2C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)8-6-14-11-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
SZKVGVRLYVFVFP-UHFFFAOYSA-N
Compound name
3-phenyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

189.04259 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe