CID 218843

41287-75-6

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂OS

SMILES

C1CSCN1CCCOC2=NC=C(C=C2)Cl

InChI

InChI=1S/C11H15ClN2OS/c12-10-2-3-11(13-8-10)15-6-1-4-14-5-7-16-9-14/h2-3,8H,1,4-7,9H2

InChIKey

DDMKVKLPNHJHLS-UHFFFAOYSA-N

Compound name

3-[3-[(5-chloro-2-pyridinyl)oxy]propyl]-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.05936 Da
Monoisotopic Mass: 2.7
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]+	259.066636	155.5
[M+Na]+	281.048578	163.4
[M-H]-	257.052084	159.2
[M+NH4]+	276.093183	172.9
[M+K]+	297.022518	158.9
[M+H-H2O]+	241.056620	148.0
[M+HCOO]-	303.057561	166.8
[M+CH3COO]-	317.073211	167.0
[M+Na-2H]-	279.034026	155.9
[M]+	258.05881142	158.4
[M]-	258.05990858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.