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]+ 144.06552 129.8
[M+Na]+ 166.04746 139.6
[M-H]- 142.05096 137.2
[M+NH4]+ 161.09206 144.2
[M+K]+ 182.02140 140.3
[M+H-H2O]+ 126.05550 123.2
[M+HCOO]- 188.05644 150.6
[M+CH3COO]- 202.07209 174.5
[M+Na-2H]- 164.03291 136.3
[M]+ 143.05769 133.3
[M]- 143.05879 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.