CID 23299598

212961-33-6

Structural Information

Molecular Formula

C₈H₁₀BrNO₂

SMILES

C1=CC(=NC=C1Br)OCCCO

InChI

InChI=1S/C8H10BrNO2/c9-7-2-3-8(10-6-7)12-5-1-4-11/h2-3,6,11H,1,4-5H2

InChIKey

ZGYSXQAWRWCIMF-UHFFFAOYSA-N

Compound name

3-[(5-bromo-2-pyridinyl)oxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 230.98949 Da
Monoisotopic Mass: 1.5
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]+	231.996766	139.5
[M+Na]+	253.978708	150.8
[M-H]-	229.982214	143.2
[M+NH4]+	249.023313	159.3
[M+K]+	269.952648	140.1
[M+H-H2O]+	213.986750	139.2
[M+HCOO]-	275.987691	159.6
[M+CH3COO]-	290.003341	183.9
[M+Na-2H]-	251.964156	148.1
[M]+	230.98894142	159.5
[M]-	230.99003858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe