CID 177798203

5-ethynyl-5-methyloxazolidin-2-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1(CNC(=O)O1)C#C
InChI
InChI=1S/C6H7NO2/c1-3-6(2)4-7-5(8)9-6/h1H,4H2,2H3,(H,7,8)
InChIKey
QDWMMNFCTVKTIA-UHFFFAOYSA-N
Compound name
5-ethynyl-5-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.047676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.2
[M+Na]+ 148.036894 131.2
[M-H]- 124.040400 120.6
[M+NH4]+ 143.081499 140.4
[M+K]+ 164.010834 128.7
[M+H-H2O]+ 108.044936 109.5
[M+HCOO]- 170.045877 135.2
[M+CH3COO]- 184.061527 175.0
[M+Na-2H]- 146.022342 126.1
[M]+ 125.04712742 113.3
[M]- 125.04822458 113.3
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

No patent data available for this compound.