CID 73949

2-oxazolidinone

Structural Information

Molecular Formula
C3H5NO2
SMILES
C1COC(=O)N1
InChI
InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey
IZXIZTKNFFYFOF-UHFFFAOYSA-N
Compound name
1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4794
References

117530
Patents

87.03203 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 112.3
[M+Na]+ 110.02125 119.9
[M-H]- 86.024754 113.6
[M+NH4]+ 105.06585 134.2
[M+K]+ 125.99519 120.6
[M+H-H2O]+ 70.029290 107.2
[M+HCOO]- 132.03023 133.5
[M+CH3COO]- 146.04588 157.0
[M+Na-2H]- 108.00670 119.7
[M]+ 87.031481 109.2
[M]- 87.032579 109.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe