CID 3038879

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

Structural Information

Molecular Formula
C17H35NS2
SMILES
CCCCCCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C17H35NS2/c1-2-3-4-5-7-10-14-19-15-11-8-6-9-12-18-13-16-20-17-18/h2-17H2,1H3
InChIKey
LJRQSEGJHGZXHY-UHFFFAOYSA-N
Compound name
3-(6-octylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2211 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.228376 177.2
[M+Na]+ 340.210318 180.1
[M-H]- 316.213824 177.0
[M+NH4]+ 335.254923 193.2
[M+K]+ 356.184258 175.0
[M+H-H2O]+ 300.218360 169.7
[M+HCOO]- 362.219301 185.2
[M+CH3COO]- 376.234951 207.1
[M+Na-2H]- 338.195766 171.7
[M]+ 317.22055142 181.7
[M]- 317.22164858 181.7
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.