CID 12889927

5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C5H8BrNO2
SMILES
CN1CC(OC1=O)CBr
InChI
InChI=1S/C5H8BrNO2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3H2,1H3
InChIKey
DQHCGRUPKXGSBU-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.97385 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.981126 132.3
[M+Na]+ 215.963068 144.7
[M-H]- 191.966574 138.1
[M+NH4]+ 211.007673 154.8
[M+K]+ 231.937008 136.3
[M+H-H2O]+ 175.971110 132.8
[M+HCOO]- 237.972051 152.0
[M+CH3COO]- 251.987701 178.9
[M+Na-2H]- 213.948516 138.8
[M]+ 192.97330142 151.1
[M]- 192.97439858 151.1
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

patents stripe