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]+ 244.11795 153.6
[M+Na]+ 266.09989 160.5
[M-H]- 242.10339 156.4
[M+NH4]+ 261.14449 170.2
[M+K]+ 282.07383 162.1
[M+H-H2O]+ 226.10793 146.8
[M+HCOO]- 288.10887 175.3
[M+CH3COO]- 302.12452 191.5
[M+Na-2H]- 264.08534 156.4
[M]+ 243.11012 161.6
[M]- 243.11122 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.