CID 38675

3-isoxazolidinone, 2-ethyl-

Structural Information

Molecular Formula
C5H9NO2
SMILES
CCN1C(=O)CCO1
InChI
InChI=1S/C5H9NO2/c1-2-6-5(7)3-4-8-6/h2-4H2,1H3
InChIKey
VMZCBTOGEBQZLG-UHFFFAOYSA-N
Compound name
2-ethyl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.1
[M+Na]+ 138.052548 128.3
[M-H]- 114.056054 123.0
[M+NH4]+ 133.097153 142.0
[M+K]+ 154.026488 129.4
[M+H-H2O]+ 98.060590 114.8
[M+HCOO]- 160.061531 142.2
[M+CH3COO]- 174.077181 166.9
[M+Na-2H]- 136.037996 126.4
[M]+ 115.06278142 120.1
[M]- 115.06387858 120.1
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