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]+ 193.98113 132.3
[M+Na]+ 215.96307 144.7
[M-H]- 191.96657 138.1
[M+NH4]+ 211.00767 154.8
[M+K]+ 231.93701 136.3
[M+H-H2O]+ 175.97111 132.8
[M+HCOO]- 237.97205 152.0
[M+CH3COO]- 251.98770 178.9
[M+Na-2H]- 213.94852 138.8
[M]+ 192.97330 151.1
[M]- 192.97440 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