CID 22391965

2-(2-bromopyridin-4-yl)propan-2-ol

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC(C)(C1=CC(=NC=C1)Br)O

InChI

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

InChIKey

NHORTBSMGTXPHB-UHFFFAOYSA-N

Compound name

2-(2-bromo-4-pyridinyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 214.99458 Da
Monoisotopic Mass: 1.6
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	138.2
[M+Na]+	237.983798	150.1
[M-H]-	213.987304	142.4
[M+NH4]+	233.028403	158.9
[M+K]+	253.957738	139.2
[M+H-H2O]+	197.991840	138.8
[M+HCOO]-	259.992781	156.7
[M+CH3COO]-	274.008431	182.4
[M+Na-2H]-	235.969246	147.3
[M]+	214.99403142	156.4
[M]-	214.99512858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe