CID 332224

68208-09-3

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

CCOC1=CN=C(O1)C(=O)OCC

InChI

InChI=1S/C8H11NO4/c1-3-11-6-5-9-7(13-6)8(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey

WZWPVIAZPSGFHJ-UHFFFAOYSA-N

Compound name

ethyl 5-ethoxy-1,3-oxazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.0688 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.07608	137.8
[M+Na]+	208.05802	148.2
[M+NH4]+	203.10262	144.2
[M+K]+	224.03196	146.3
[M-H]-	184.06152	138.2
[M+Na-2H]-	206.04347	141.3
[M]+	185.06825	139.1
[M]-	185.06935	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe