CID 376756

1-benzyl-3-hydroxypyridinium bromide

Structural Information

Molecular Formula

C₁₂H₁₂NO

SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C12H11NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2/p+1

InChIKey

HYGDJRVXHVXONK-UHFFFAOYSA-O

Compound name

1-benzylpyridin-1-ium-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 80
Patents: 186.09189 Da
Monoisotopic Mass: 2.2
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]+	187.09917	141.1
[M+Na]+	209.08111	149.0
[M-H]-	185.08461	145.6
[M+NH4]+	204.12571	158.5
[M+K]+	225.05505	139.6
[M+H-H2O]+	169.08915	136.5
[M+HCOO]-	231.09009	163.3
[M+CH3COO]-	245.10574	172.7
[M+Na-2H]-	207.06656	151.3
[M]+	186.09134	138.8
[M]-	186.09244	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe