CID 21717656

2411257-82-2

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]+ 184.06044 135.5
[M+Na]+ 206.04238 144.1
[M-H]- 182.04588 138.9
[M+NH4]+ 201.08698 154.5
[M+K]+ 222.01632 145.3
[M+H-H2O]+ 166.05042 129.5
[M+HCOO]- 228.05136 158.2
[M+CH3COO]- 242.06701 179.6
[M+Na-2H]- 204.02783 139.8
[M]+ 183.05261 140.2
[M]- 183.05371 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