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]+ 332.24404 181.2
[M+Na]+ 354.22598 183.6
[M-H]- 330.22948 180.8
[M+NH4]+ 349.27058 196.6
[M+K]+ 370.19992 178.3
[M+H-H2O]+ 314.23402 173.5
[M+HCOO]- 376.23496 188.8
[M+CH3COO]- 390.25061 209.9
[M+Na-2H]- 352.21143 175.2
[M]+ 331.23621 186.0
[M]- 331.23731 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.