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 173.2
[M+Na]+ 326.19466 176.5
[M-H]- 302.19816 173.2
[M+NH4]+ 321.23926 189.8
[M+K]+ 342.16860 171.7
[M+H-H2O]+ 286.20270 165.9
[M+HCOO]- 348.20364 181.5
[M+CH3COO]- 362.21929 204.2
[M+Na-2H]- 324.18011 168.1
[M]+ 303.20489 177.3
[M]- 303.20599 177.3
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.