CID 21914391

5-bromo-2-(tetrahydro-2h-pyran-4-yloxy)pyridine

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

C1COCCC1OC2=NC=C(C=C2)Br

InChI

InChI=1S/C10H12BrNO2/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2

InChIKey

ZCTXTBRJCPHMEP-UHFFFAOYSA-N

Compound name

5-bromo-2-(oxan-4-yloxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 257.00513 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]+	258.01241	148.2
[M+Na]+	279.99435	157.3
[M-H]-	255.99785	156.0
[M+NH4]+	275.03895	165.9
[M+K]+	295.96829	148.6
[M+H-H2O]+	240.00239	147.1
[M+HCOO]-	302.00333	165.6
[M+CH3COO]-	316.01898	188.9
[M+Na-2H]-	277.97980	156.3
[M]+	257.00458	164.9
[M]-	257.00568	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe