CID 218893

41288-03-3

Structural Information

Molecular Formula
C11H16N2OS
SMILES
C1CSCN1CCCOC2=CN=CC=C2
InChI
InChI=1S/C11H16N2OS/c1-3-11(9-12-4-1)14-7-2-5-13-6-8-15-10-13/h1,3-4,9H,2,5-8,10H2
InChIKey
CKRYUHHWBVCIDP-UHFFFAOYSA-N
Compound name
3-(3-pyridin-3-yloxypropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09833 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.105606 149.0
[M+Na]+ 247.087548 155.6
[M-H]- 223.091054 152.5
[M+NH4]+ 242.132153 166.7
[M+K]+ 263.061488 152.8
[M+H-H2O]+ 207.095590 141.0
[M+HCOO]- 269.096531 165.1
[M+CH3COO]- 283.112181 184.8
[M+Na-2H]- 245.072996 150.7
[M]+ 224.09778142 149.9
[M]- 224.09887858 149.9
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.