CID 136892

1121-83-1

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(CNC(=O)O1)C
InChI
InChI=1S/C5H9NO2/c1-5(2)3-6-4(7)8-5/h3H2,1-2H3,(H,6,7)
InChIKey
OGUQHFXVADNTBU-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

115.06333 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe