CID 68748330

(5-bromopyridine-2,3-diyl)dimethanol hydrochloride

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

C1=C(C=NC(=C1CO)CO)Br

InChI

InChI=1S/C7H8BrNO2/c8-6-1-5(3-10)7(4-11)9-2-6/h1-2,10-11H,3-4H2

InChIKey

UIJUHQDWZRFCAZ-UHFFFAOYSA-N

Compound name

[5-bromo-2-(hydroxymethyl)pyridin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 216.97385 Da
Monoisotopic Mass: -0.2
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]+	217.98113	138.4
[M+Na]+	239.96307	141.7
[M+NH4]+	235.00767	142.5
[M+K]+	255.93701	142.2
[M-H]-	215.96657	137.6
[M+Na-2H]-	237.94852	141.2
[M]+	216.97330	137.3
[M]-	216.97440	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe