CID 151298436

Ethyl 3-(1,3-oxazol-5-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC(=O)CC(=O)C1=CN=CO1
InChI
InChI=1S/C8H9NO4/c1-2-12-8(11)3-6(10)7-4-9-5-13-7/h4-5H,2-3H2,1H3
InChIKey
OBXICINCYPCXKA-UHFFFAOYSA-N
Compound name
ethyl 3-(1,3-oxazol-5-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.3
[M+Na]+ 206.04238 144.0
[M-H]- 182.04588 139.3
[M+NH4]+ 201.08698 155.0
[M+K]+ 222.01632 145.2
[M+H-H2O]+ 166.05042 130.0
[M+HCOO]- 228.05136 159.0
[M+CH3COO]- 242.06701 178.4
[M+Na-2H]- 204.02783 141.2
[M]+ 183.05261 140.6
[M]- 183.05371 140.6
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

No patent data available for this compound.