CID 642151

81778-07-6

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

206
Patents

115.06333 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe