CID 15474832

169048-78-6

Structural Information

Molecular Formula
C4H6BrNO2
SMILES
C1[C@H](OC(=O)N1)CBr
InChI
InChI=1S/C4H6BrNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKey
INSHXEIAUKZTOC-GSVOUGTGSA-N
Compound name
(5S)-5-(bromomethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

178.95819 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.96547 129.5
[M+Na]+ 201.94741 140.9
[M-H]- 177.95091 133.7
[M+NH4]+ 196.99201 151.6
[M+K]+ 217.92135 132.0
[M+H-H2O]+ 161.95545 130.0
[M+HCOO]- 223.95639 148.1
[M+CH3COO]- 237.97204 172.5
[M+Na-2H]- 199.93286 136.6
[M]+ 178.95764 145.8
[M]- 178.95874 145.8
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

No patent data available for this compound.