CID 137377117

2130895-96-2

Structural Information

Molecular Formula

C₉H₁₁BrN₂O₂

SMILES

C1COCCC1OC2=NC=CC(=N2)Br

InChI

InChI=1S/C9H11BrN2O2/c10-8-1-4-11-9(12-8)14-7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2

InChIKey

MYWZQAISPGEBDU-UHFFFAOYSA-N

Compound name

4-bromo-2-(oxan-4-yloxy)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 258.0004 Da
Monoisotopic Mass: 1.9
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]+	259.00768	146.7
[M+Na]+	280.98962	156.2
[M-H]-	256.99312	153.2
[M+NH4]+	276.03422	163.0
[M+K]+	296.96356	147.5
[M+H-H2O]+	240.99766	145.0
[M+HCOO]-	302.99860	163.2
[M+CH3COO]-	317.01425	188.7
[M+Na-2H]-	278.97507	155.3
[M]+	257.99985	163.5
[M]-	258.00095	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe