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

94
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.1
[M+Na]+ 138.05255 128.3
[M-H]- 114.05605 123.0
[M+NH4]+ 133.09715 142.0
[M+K]+ 154.02649 129.4
[M+H-H2O]+ 98.060590 114.8
[M+HCOO]- 160.06153 142.2
[M+CH3COO]- 174.07718 166.9
[M+Na-2H]- 136.03800 126.4
[M]+ 115.06278 120.1
[M]- 115.06388 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