CID 642151

4,4-dimethyl-1,2-oxazolidin-3-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(CONC1=O)C
InChI
InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKey
UUXRXRHXOZHHJV-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

115.06333 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.6
[M+Na]+ 138.05255 131.7
[M+NH4]+ 133.09715 130.8
[M+K]+ 154.02649 127.6
[M-H]- 114.05605 122.5
[M+Na-2H]- 136.03800 126.5
[M]+ 115.06278 123.2
[M]- 115.06388 123.2
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