CID 82380037

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

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

C1CCC(CC1)N2CC(OC2=O)CBr

InChI

InChI=1S/C10H16BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h8-9H,1-7H2

InChIKey

BIMDAYKKEYIFRM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 Da
Monoisotopic Mass: 2.5
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]+	262.043716	155.2
[M+Na]+	284.025658	163.8
[M-H]-	260.029164	162.7
[M+NH4]+	279.070263	174.6
[M+K]+	299.999598	154.7
[M+H-H2O]+	244.033700	154.8
[M+HCOO]-	306.034641	170.7
[M+CH3COO]-	320.050291	189.9
[M+Na-2H]-	282.011106	158.1
[M]+	261.03589142	169.5
[M]-	261.03698858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.