CID 13979735

3-(5-bromopyridin-2-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC(=NC=C1Br)CCCO

InChI

InChI=1S/C8H10BrNO/c9-7-3-4-8(10-6-7)2-1-5-11/h3-4,6,11H,1-2,5H2

InChIKey

OEYNYBDLBSGKRU-UHFFFAOYSA-N

Compound name

3-(5-bromopyridin-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 214.99458 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]+	216.00186	138.9
[M+Na]+	237.98380	142.6
[M+NH4]+	233.02840	143.7
[M+K]+	253.95774	142.1
[M-H]-	213.98730	139.0
[M+Na-2H]-	235.96925	142.7
[M]+	214.99403	138.2
[M]-	214.99513	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe