CID 9856314

Ec 430-820-8

Structural Information

Molecular Formula
C8H12BrNO3
SMILES
CC(C(=O)N1C(=O)OCC1(C)C)Br
InChI
InChI=1S/C8H12BrNO3/c1-5(9)6(11)10-7(12)13-4-8(10,2)3/h5H,4H2,1-3H3
InChIKey
MCVHDVANTPAEAA-UHFFFAOYSA-N
Compound name
3-(2-bromopropanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

249.00006 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00734 144.3
[M+Na]+ 271.98928 156.0
[M-H]- 247.99278 150.2
[M+NH4]+ 267.03388 166.5
[M+K]+ 287.96322 147.9
[M+H-H2O]+ 231.99732 145.7
[M+HCOO]- 293.99826 161.7
[M+CH3COO]- 308.01391 189.1
[M+Na-2H]- 269.97473 148.6
[M]+ 248.99951 164.0
[M]- 249.00061 164.0
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

patents stripe