CID 76887

3-(2-hydroxyethyl)-2-oxazolidinone

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1COC(=O)N1CCO
InChI
InChI=1S/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2
InChIKey
GOXNUYXRIQJIEF-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2149
Patents

131.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 123.9
[M+Na]+ 154.04746 131.5
[M-H]- 130.05096 125.2
[M+NH4]+ 149.09206 144.2
[M+K]+ 170.02140 132.0
[M+H-H2O]+ 114.05550 118.5
[M+HCOO]- 176.05644 144.6
[M+CH3COO]- 190.07209 166.3
[M+Na-2H]- 152.03291 129.6
[M]+ 131.05769 123.3
[M]- 131.05879 123.3
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