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-chloropyridin-2-yl)oxypropyl]-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06664 155.5
[M+Na]+ 281.04858 163.4
[M-H]- 257.05208 159.2
[M+NH4]+ 276.09318 172.9
[M+K]+ 297.02252 158.9
[M+H-H2O]+ 241.05662 148.0
[M+HCOO]- 303.05756 166.8
[M+CH3COO]- 317.07321 167.0
[M+Na-2H]- 279.03403 155.9
[M]+ 258.05881 158.4
[M]- 258.05991 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.