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

50
Patents

115.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 119.5
[M+Na]+ 138.05255 128.2
[M-H]- 114.05605 121.4
[M+NH4]+ 133.09715 142.7
[M+K]+ 154.02649 128.5
[M+H-H2O]+ 98.060590 115.4
[M+HCOO]- 160.06153 140.1
[M+CH3COO]- 174.07718 163.8
[M+Na-2H]- 136.03800 126.6
[M]+ 115.06278 117.9
[M]- 115.06388 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