CID 3038865

Thiazolidine, 3-(5-(decylthio)pentyl)-, hydrochloride

Structural Information

Molecular Formula
C18H37NS2
SMILES
CCCCCCCCCCSCCCCCN1CCSC1
InChI
InChI=1S/C18H37NS2/c1-2-3-4-5-6-7-8-11-15-20-16-12-9-10-13-19-14-17-21-18-19/h2-18H2,1H3
InChIKey
GJEYIFWZRBCPDQ-UHFFFAOYSA-N
Compound name
3-(5-decylsulfanylpentyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23676 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.244036 181.2
[M+Na]+ 354.225978 183.6
[M-H]- 330.229484 180.8
[M+NH4]+ 349.270583 196.6
[M+K]+ 370.199918 178.3
[M+H-H2O]+ 314.234020 173.5
[M+HCOO]- 376.234961 188.8
[M+CH3COO]- 390.250611 209.9
[M+Na-2H]- 352.211426 175.2
[M]+ 331.23621142 186.0
[M]- 331.23730858 186.0
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.