CID 218845

41287-76-7

Structural Information

Molecular Formula
C11H15IN2OS
SMILES
C1CSCN1CCCOC2=NC=C(C=C2)I
InChI
InChI=1S/C11H15IN2OS/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
KMWXSZPRUJHARL-UHFFFAOYSA-N
Compound name
3-[3-(5-iodopyridin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00228 158.8
[M+Na]+ 372.98422 159.0
[M-H]- 348.98772 155.4
[M+NH4]+ 368.02882 171.2
[M+K]+ 388.95816 161.6
[M+H-H2O]+ 332.99226 147.4
[M+HCOO]- 394.99320 170.0
[M+CH3COO]- 409.00885 196.7
[M+Na-2H]- 370.96967 148.1
[M]+ 349.99445 157.5
[M]- 349.99555 157.5
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.