CID 21935068

870521-31-6

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC(C)OC1=NC=C(C=C1)Br

InChI

InChI=1S/C8H10BrNO/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3

InChIKey

FSZRSTNRZUIEMA-UHFFFAOYSA-N

Compound name

5-bromo-2-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 214.99458 Da
Monoisotopic Mass: 2.6
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]+	216.00186	136.4
[M+Na]+	237.98380	148.1
[M-H]-	213.98730	141.6
[M+NH4]+	233.02840	157.6
[M+K]+	253.95774	138.2
[M+H-H2O]+	197.99184	136.3
[M+HCOO]-	259.99278	156.9
[M+CH3COO]-	274.00843	185.3
[M+Na-2H]-	235.96925	144.4
[M]+	214.99403	156.2
[M]-	214.99513	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe