CID 3038875

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

Structural Information

Molecular Formula
C15H31NS2
SMILES
CCCCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C15H31NS2/c1-2-3-4-8-12-17-13-9-6-5-7-10-16-11-14-18-15-16/h2-15H2,1H3
InChIKey
JGECVLCMZXWXIH-UHFFFAOYSA-N
Compound name
3-(6-hexylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1898 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.197076 169.2
[M+Na]+ 312.179018 172.9
[M-H]- 288.182524 169.4
[M+NH4]+ 307.223623 186.3
[M+K]+ 328.152958 168.3
[M+H-H2O]+ 272.187060 162.1
[M+HCOO]- 334.188001 177.7
[M+CH3COO]- 348.203651 201.3
[M+Na-2H]- 310.164466 164.5
[M]+ 289.18925142 173.0
[M]- 289.19034858 173.0
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.