CID 71299881

(3-amino-6-bromopyridin-2-yl)methanol

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

C1=CC(=NC(=C1N)CO)Br

InChI

InChI=1S/C6H7BrN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2

InChIKey

IDXLGZVJUADTSD-UHFFFAOYSA-N

Compound name

(3-amino-6-bromo-2-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 201.97418 Da
Monoisotopic Mass: 0.9
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]+	202.981456	132.0
[M+Na]+	224.963398	144.1
[M-H]-	200.966904	135.8
[M+NH4]+	220.008003	152.6
[M+K]+	240.937338	132.5
[M+H-H2O]+	184.971440	131.5
[M+HCOO]-	246.972381	152.8
[M+CH3COO]-	260.988031	181.4
[M+Na-2H]-	222.948846	140.1
[M]+	201.97363142	148.5
[M]-	201.97472858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe