CID 94595

3-bromo-4,4-dimethyloxazolidin-2-one

Structural Information

Molecular Formula

C₅H₈BrNO₂

SMILES

CC1(COC(=O)N1Br)C

InChI

InChI=1S/C5H8BrNO2/c1-5(2)3-9-4(8)7(5)6/h3H2,1-2H3

InChIKey

UGTLNHLTOZDVCT-UHFFFAOYSA-N

Compound name

3-bromo-4,4-dimethyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 192.97385 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.981126	128.6
[M+Na]+	215.963068	141.9
[M-H]-	191.966574	134.8
[M+NH4]+	211.007673	153.2
[M+K]+	231.937008	133.8
[M+H-H2O]+	175.971110	130.4
[M+HCOO]-	237.972051	148.5
[M+CH3COO]-	251.987701	178.5
[M+Na-2H]-	213.948516	136.7
[M]+	192.97330142	148.0
[M]-	192.97439858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe