CID 2796947

32998-97-3

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)C1=C(OC=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
LFBYYERWTHYROG-UHFFFAOYSA-N
Compound name
ethyl 5-phenyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

217.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.2
[M+Na]+ 240.06312 159.4
[M+NH4]+ 235.10772 153.8
[M+K]+ 256.03706 155.5
[M-H]- 216.06662 150.0
[M+Na-2H]- 238.04857 153.5
[M]+ 217.07335 149.0
[M]- 217.07445 149.0
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