CID 3038867

Thiazolidine, 3-(6-(ethylthio)hexyl)-, hydrochloride

Structural Information

Molecular Formula
C11H23NS2
SMILES
CCSCCCCCCN1CCSC1
InChI
InChI=1S/C11H23NS2/c1-2-13-9-6-4-3-5-7-12-8-10-14-11-12/h2-11H2,1H3
InChIKey
QNIHAIBVUJEHTM-UHFFFAOYSA-N
Compound name
3-(6-ethylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.134476 152.9
[M+Na]+ 256.116418 158.4
[M-H]- 232.119924 153.9
[M+NH4]+ 251.161023 172.3
[M+K]+ 272.090358 154.8
[M+H-H2O]+ 216.124460 146.5
[M+HCOO]- 278.125401 162.7
[M+CH3COO]- 292.141051 189.6
[M+Na-2H]- 254.101866 149.9
[M]+ 233.12665142 155.3
[M]- 233.12774858 155.3
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.