CID 2725802

Maybridge3_004791

Structural Information

Molecular Formula

C₁₃H₁₆BrNO₃

SMILES

CC(C)N1CC(OC1=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3

InChIKey

ZWWHJSZDVHUDEE-UHFFFAOYSA-N

Compound name

5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 6
Patents: 313.03137 Da
Monoisotopic Mass: 3.1
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]+	314.038646	165.0
[M+Na]+	336.020588	175.5
[M-H]-	312.024094	173.5
[M+NH4]+	331.065193	182.7
[M+K]+	351.994528	166.3
[M+H-H2O]+	296.028630	164.1
[M+HCOO]-	358.029571	182.9
[M+CH3COO]-	372.045221	201.0
[M+Na-2H]-	334.006036	167.6
[M]+	313.03082142	185.4
[M]-	313.03191858	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe