CID 3038849

Thiazolidine, 3-(3-(octylthio)propyl)-, hydrochloride

Structural Information

Molecular Formula
C14H29NS2
SMILES
CCCCCCCCSCCCN1CCSC1
InChI
InChI=1S/C14H29NS2/c1-2-3-4-5-6-7-11-16-12-8-9-15-10-13-17-14-15/h2-14H2,1H3
InChIKey
BJKQZSSFFJISSH-UHFFFAOYSA-N
Compound name
3-(3-octylsulfanylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17413 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.181406 165.2
[M+Na]+ 298.163348 169.3
[M-H]- 274.166854 165.6
[M+NH4]+ 293.207953 182.8
[M+K]+ 314.137288 165.0
[M+H-H2O]+ 258.171390 158.2
[M+HCOO]- 320.172331 174.0
[M+CH3COO]- 334.187981 198.4
[M+Na-2H]- 296.148796 160.9
[M]+ 275.17358142 168.6
[M]- 275.17467858 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.