CID 538766

3-acetyl-2-oxazolidinone

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(=O)N1CCOC1=O
InChI
InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKey
COCHMAAUXSQMED-UHFFFAOYSA-N
Compound name
3-acetyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

327
Patents

129.04259 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 122.2
[M+Na]+ 152.031808 130.5
[M-H]- 128.035314 125.2
[M+NH4]+ 147.076413 143.4
[M+K]+ 168.005748 131.8
[M+H-H2O]+ 112.039850 116.9
[M+HCOO]- 174.040791 143.8
[M+CH3COO]- 188.056441 168.3
[M+Na-2H]- 150.017256 127.3
[M]+ 129.04204142 122.2
[M]- 129.04313858 122.2
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