CID 38678

Brn 0638450

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CON(C1=O)CC2CO2
InChI
InChI=1S/C6H9NO3/c8-6-1-2-10-7(6)3-5-4-9-5/h5H,1-4H2
InChIKey
ACVFZDKKWCHRGF-UHFFFAOYSA-N
Compound name
2-(oxiran-2-ylmethyl)-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 129.8
[M+Na]+ 166.047458 139.6
[M-H]- 142.050964 137.2
[M+NH4]+ 161.092063 144.2
[M+K]+ 182.021398 140.3
[M+H-H2O]+ 126.055500 123.2
[M+HCOO]- 188.056441 150.6
[M+CH3COO]- 202.072091 174.5
[M+Na-2H]- 164.032906 136.3
[M]+ 143.05769142 133.3
[M]- 143.05878858 133.3
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.