CID 1712094

Oxazolone

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCO/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKey
SJHPCNCNNSSLPL-NTMALXAHSA-N
Compound name
(4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1418
References

19303
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.8
[M+Na]+ 240.06312 159.8
[M+NH4]+ 235.10772 154.2
[M+K]+ 256.03706 155.4
[M-H]- 216.06662 150.4
[M+Na-2H]- 238.04857 153.2
[M]+ 217.07335 149.5
[M]- 217.07445 149.5
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