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]+ 184.060436 136.3
[M+Na]+ 206.042378 144.0
[M-H]- 182.045884 139.3
[M+NH4]+ 201.086983 155.0
[M+K]+ 222.016318 145.2
[M+H-H2O]+ 166.050420 130.0
[M+HCOO]- 228.051361 159.0
[M+CH3COO]- 242.067011 178.4
[M+Na-2H]- 204.027826 141.2
[M]+ 183.05261142 140.6
[M]- 183.05370858 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.