CID 3074287

2-butyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)thiazolidine

Structural Information

Molecular Formula
C13H25NS3
SMILES
CCCCC1(NCCS1)CCC2(SCCS2)C
InChI
InChI=1S/C13H25NS3/c1-3-4-5-13(14-8-9-17-13)7-6-12(2)15-10-11-16-12/h14H,3-11H2,1-2H3
InChIKey
HUZVZEOLPFEDRF-UHFFFAOYSA-N
Compound name
2-butyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1149 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12218 160.8
[M+Na]+ 314.10412 166.5
[M+NH4]+ 309.14872 172.4
[M+K]+ 330.07806 154.9
[M-H]- 290.10762 162.9
[M+Na-2H]- 312.08957 165.3
[M]+ 291.11435 163.7
[M]- 291.11545 163.7
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.