CID 11961884

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

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(CC(=O)NO1)C
InChI
InChI=1S/C5H9NO2/c1-5(2)3-4(7)6-8-5/h3H2,1-2H3,(H,6,7)
InChIKey
LXZYXGPGJLIZKU-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

115.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 119.5
[M+Na]+ 138.052548 128.2
[M-H]- 114.056054 121.4
[M+NH4]+ 133.097153 142.7
[M+K]+ 154.026488 128.5
[M+H-H2O]+ 98.060590 115.4
[M+HCOO]- 160.061531 140.1
[M+CH3COO]- 174.077181 163.8
[M+Na-2H]- 136.037996 126.6
[M]+ 115.06278142 117.9
[M]- 115.06387858 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe