CID 121224398

Ethyl 5-(diethoxymethyl)-1,2-oxazole-4-carboxylate

Structural Information

Molecular Formula
C11H17NO5
SMILES
CCOC(C1=C(C=NO1)C(=O)OCC)OCC
InChI
InChI=1S/C11H17NO5/c1-4-14-10(13)8-7-12-17-9(8)11(15-5-2)16-6-3/h7,11H,4-6H2,1-3H3
InChIKey
SXQCOQZUDIOQFI-UHFFFAOYSA-N
Compound name
ethyl 5-(diethoxymethyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11067 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.117946 153.6
[M+Na]+ 266.099888 160.5
[M-H]- 242.103394 156.4
[M+NH4]+ 261.144493 170.2
[M+K]+ 282.073828 162.1
[M+H-H2O]+ 226.107930 146.8
[M+HCOO]- 288.108871 175.3
[M+CH3COO]- 302.124521 191.5
[M+Na-2H]- 264.085336 156.4
[M]+ 243.11012142 161.6
[M]- 243.11121858 161.6
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.