CID 3038879

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

Structural Information

Molecular Formula
C17H35NS2
SMILES
CCCCCCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C17H35NS2/c1-2-3-4-5-7-10-14-19-15-11-8-6-9-12-18-13-16-20-17-18/h2-17H2,1H3
InChIKey
LJRQSEGJHGZXHY-UHFFFAOYSA-N
Compound name
3-(6-octylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2211 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22838 177.2
[M+Na]+ 340.21032 180.1
[M-H]- 316.21382 177.0
[M+NH4]+ 335.25492 193.2
[M+K]+ 356.18426 175.0
[M+H-H2O]+ 300.21836 169.7
[M+HCOO]- 362.21930 185.2
[M+CH3COO]- 376.23495 207.1
[M+Na-2H]- 338.19577 171.7
[M]+ 317.22055 181.7
[M]- 317.22165 181.7
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.