CID 10584808

3-bromo-5-(propan-2-yloxy)pyridine

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

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

InChI

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

InChIKey

ASEHPOZWQJRWAD-UHFFFAOYSA-N

Compound name

3-bromo-5-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 401
Patents: 214.99458 Da
Monoisotopic Mass: 2.3
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]+	216.001856	136.4
[M+Na]+	237.983798	148.1
[M-H]-	213.987304	141.6
[M+NH4]+	233.028403	157.6
[M+K]+	253.957738	138.2
[M+H-H2O]+	197.991840	136.3
[M+HCOO]-	259.992781	156.9
[M+CH3COO]-	274.008431	185.3
[M+Na-2H]-	235.969246	144.4
[M]+	214.99403142	156.2
[M]-	214.99512858	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe