CID 21717656

Ethyl 4-acetyl-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC(=O)C1=NOC=C1C(=O)C
InChI
InChI=1S/C8H9NO4/c1-3-12-8(11)7-6(5(2)10)4-13-9-7/h4H,3H2,1-2H3
InChIKey
UZSGLKVTYGMKBN-UHFFFAOYSA-N
Compound name
ethyl 4-acetyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 135.5
[M+Na]+ 206.042378 144.1
[M-H]- 182.045884 138.9
[M+NH4]+ 201.086983 154.5
[M+K]+ 222.016318 145.3
[M+H-H2O]+ 166.050420 129.5
[M+HCOO]- 228.051361 158.2
[M+CH3COO]- 242.067011 179.6
[M+Na-2H]- 204.027826 139.8
[M]+ 183.05261142 140.2
[M]- 183.05370858 140.2
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

patents stripe