CID 3038877

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

Structural Information

Molecular Formula
C16H33NS2
SMILES
CCCCCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C16H33NS2/c1-2-3-4-6-9-13-18-14-10-7-5-8-11-17-12-15-19-16-17/h2-16H2,1H3
InChIKey
RCDPNFQVTRPUDQ-UHFFFAOYSA-N
Compound name
3-(6-heptylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.20544 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.21272 174.1
[M+Na]+ 326.19466 181.3
[M+NH4]+ 321.23926 182.4
[M+K]+ 342.16860 170.7
[M-H]- 302.19816 175.5
[M+Na-2H]- 324.18011 175.0
[M]+ 303.20489 176.3
[M]- 303.20599 176.3
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.