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-bromo-2-pyridinyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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]+	216.001856	136.9
[M+Na]+	237.983798	148.4
[M-H]-	213.987304	140.7
[M+NH4]+	233.028403	157.5
[M+K]+	253.957738	137.1
[M+H-H2O]+	197.991840	136.9
[M+HCOO]-	259.992781	156.9
[M+CH3COO]-	274.008431	182.0
[M+Na-2H]-	235.969246	145.5
[M]+	214.99403142	155.5
[M]-	214.99512858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe