CID 199188

Alpha-norpyridoxol hydrochloride

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=N1)CO)O

InChI

InChI=1S/C7H9NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-3,9-10H,4H2,1H3

InChIKey

GMUFGAIZRAMTEN-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-2-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 401
Patents: 139.06332 Da
Monoisotopic Mass: 0.0
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]+	140.07060	126.2
[M+Na]+	162.05254	135.5
[M-H]-	138.05604	126.5
[M+NH4]+	157.09714	145.7
[M+K]+	178.02648	133.2
[M+H-H2O]+	122.06058	120.8
[M+HCOO]-	184.06152	147.6
[M+CH3COO]-	198.07717	168.9
[M+Na-2H]-	160.03799	133.1
[M]+	139.06277	125.8
[M]-	139.06387	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe