CID 136837

5-methyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C4H7NO2
SMILES
CC1CNC(=O)O1
InChI
InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
InChIKey
HBRXQSHUXIJOKV-UHFFFAOYSA-N
Compound name
5-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

492
Patents

101.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.6
[M+Na]+ 124.03689 127.8
[M+NH4]+ 119.08150 125.5
[M+K]+ 140.01083 125.5
[M-H]- 100.04040 118.6
[M+Na-2H]- 122.02234 121.1
[M]+ 101.04713 119.0
[M]- 101.04822 119.0
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