CID 13514194

3-ethyl-2,3-dihydro-1,3-oxazol-2-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
CCN1C=COC1=O
InChI
InChI=1S/C5H7NO2/c1-2-6-3-4-8-5(6)7/h3-4H,2H2,1H3
InChIKey
CUFFUTUEAZMSKZ-UHFFFAOYSA-N
Compound name
3-ethyl-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

113.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 116.3
[M+Na]+ 136.036894 126.6
[M-H]- 112.040400 119.9
[M+NH4]+ 131.081499 138.5
[M+K]+ 152.010834 127.2
[M+H-H2O]+ 96.044936 111.0
[M+HCOO]- 158.045877 141.3
[M+CH3COO]- 172.061527 166.2
[M+Na-2H]- 134.022342 124.6
[M]+ 113.04712742 119.1
[M]- 113.04822458 119.1
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

patents stripe