CID 2776202

197899-76-6

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)C2=CC=C(S2)CO

InChI

InChI=1S/C10H9NOS/c12-7-8-4-5-10(13-8)9-3-1-2-6-11-9/h1-6,12H,7H2

InChIKey

NDGGWUSDQZLQCA-UHFFFAOYSA-N

Compound name

(5-pyridin-2-ylthiophen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 191.04048 Da
Monoisotopic Mass: 1.4
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]+	192.04776	138.9
[M+Na]+	214.02970	152.3
[M+NH4]+	209.07430	148.5
[M+K]+	230.00364	144.9
[M-H]-	190.03320	142.7
[M+Na-2H]-	212.01515	147.1
[M]+	191.03993	142.4
[M]-	191.04103	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe