CID 2736353

Ethyl 5-acetylisoxazole-3-carboxylate

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC(=O)C1=NOC(=C1)C(=O)C
InChI
InChI=1S/C8H9NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4H,3H2,1-2H3
InChIKey
WHZRTVZOVQOWLG-UHFFFAOYSA-N
Compound name
ethyl 5-acetyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
Patents

183.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 137.0
[M+Na]+ 206.04238 147.2
[M+NH4]+ 201.08698 143.0
[M+K]+ 222.01632 146.0
[M-H]- 182.04588 137.0
[M+Na-2H]- 204.02783 140.2
[M]+ 183.05261 138.1
[M]- 183.05371 138.1
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