CID 2794829

113293-71-3

Structural Information

Molecular Formula

SMILES

C1=CC(=NC=C1CO)N

InChI

InChI=1S/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)

InChIKey

TXPRFSOGPYITOT-UHFFFAOYSA-N

Compound name

(6-aminopyridin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 415
Patents: 124.06366 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]+	125.07094	122.4
[M+Na]+	147.05288	134.6
[M+NH4]+	142.09748	130.7
[M+K]+	163.02682	129.1
[M-H]-	123.05638	124.2
[M+Na-2H]-	145.03833	129.5
[M]+	124.06311	124.5
[M]-	124.06421	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe