CID 3038873

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

Structural Information

Molecular Formula
C14H29NS2
SMILES
CCCCCSCCCCCCN1CCSC1
InChI
InChI=1S/C14H29NS2/c1-2-3-7-11-16-12-8-5-4-6-9-15-10-13-17-14-15/h2-14H2,1H3
InChIKey
ZEUMKFBOHXHDQN-UHFFFAOYSA-N
Compound name
3-(6-pentylsulfanylhexyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17413 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18141 165.2
[M+Na]+ 298.16335 169.3
[M-H]- 274.16685 165.6
[M+NH4]+ 293.20795 182.8
[M+K]+ 314.13729 165.0
[M+H-H2O]+ 258.17139 158.2
[M+HCOO]- 320.17233 174.0
[M+CH3COO]- 334.18798 198.4
[M+Na-2H]- 296.14880 160.9
[M]+ 275.17358 168.6
[M]- 275.17468 168.6
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.