CID 97769

4-ethyl-2-oxazolidinone

Structural Information

Molecular Formula
C5H9NO2
SMILES
CCC1COC(=O)N1
InChI
InChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
CRHQYASHOICRND-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
Patents

115.06333 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.2
[M+Na]+ 138.05255 129.0
[M-H]- 114.05605 122.6
[M+NH4]+ 133.09715 142.3
[M+K]+ 154.02649 129.1
[M+H-H2O]+ 98.060590 116.0
[M+HCOO]- 160.06153 141.8
[M+CH3COO]- 174.07718 164.2
[M+Na-2H]- 136.03800 126.9
[M]+ 115.06278 119.2
[M]- 115.06388 119.2
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