CID 511748

Chembl95655

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

CC1=CC=CN2C1=NC=C2CSCCO

InChI

InChI=1S/C11H14N2OS/c1-9-3-2-4-13-10(7-12-11(9)13)8-15-6-5-14/h2-4,7,14H,5-6,8H2,1H3

InChIKey

KVKIFFNEGQGKFT-UHFFFAOYSA-N

Compound name

2-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.08269 Da
Monoisotopic Mass: 1.9
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]+	223.08997	146.7
[M+Na]+	245.07191	157.8
[M-H]-	221.07541	148.3
[M+NH4]+	240.11651	166.1
[M+K]+	261.04585	153.3
[M+H-H2O]+	205.07995	140.5
[M+HCOO]-	267.08089	164.0
[M+CH3COO]-	281.09654	159.8
[M+Na-2H]-	243.05736	150.4
[M]+	222.08214	152.2
[M]-	222.08324	152.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.