CID 45361767

(5-bromo-3-methoxypyridin-2-yl)methanol

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

COC1=C(N=CC(=C1)Br)CO

InChI

InChI=1S/C7H8BrNO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-3,10H,4H2,1H3

InChIKey

PMFAMDOUBXZRSN-UHFFFAOYSA-N

Compound name

(5-bromo-3-methoxypyridin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 216.97385 Da
Monoisotopic Mass: 0.7
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	137.3
[M+Na]+	239.96307	141.1
[M+NH4]+	235.00767	141.8
[M+K]+	255.93701	141.4
[M-H]-	215.96657	137.0
[M+Na-2H]-	237.94852	140.8
[M]+	216.97330	136.5
[M]-	216.97440	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe