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 162.2
[M+Na]+ 314.10412 168.1
[M-H]- 290.10762 164.0
[M+NH4]+ 309.14872 183.5
[M+K]+ 330.07806 163.1
[M+H-H2O]+ 274.11216 158.6
[M+HCOO]- 336.11310 164.4
[M+CH3COO]- 350.12875 171.4
[M+Na-2H]- 312.08957 159.6
[M]+ 291.11435 160.6
[M]- 291.11545 160.6
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.