CID 68748330

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
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]+	217.981126	135.6
[M+Na]+	239.963068	147.7
[M-H]-	215.966574	138.5
[M+NH4]+	235.007673	155.5
[M+K]+	255.937008	136.2
[M+H-H2O]+	199.971110	135.7
[M+HCOO]-	261.972051	154.5
[M+CH3COO]-	275.987701	179.8
[M+Na-2H]-	237.948516	143.5
[M]+	216.97330142	153.7
[M]-	216.97439858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe