CID 3074290

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

Structural Information

Molecular Formula
C14H27NS3
SMILES
CCCCCC1(SCCS1)CCC2(NCCS2)C
InChI
InChI=1S/C14H27NS3/c1-3-4-5-6-14(17-11-12-18-14)8-7-13(2)15-9-10-16-13/h15H,3-12H2,1-2H3
InChIKey
AFDDWFDDUHBUNR-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-(2-pentyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13055 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13783 165.8
[M+Na]+ 328.11977 171.2
[M-H]- 304.12327 167.3
[M+NH4]+ 323.16437 186.5
[M+K]+ 344.09371 166.0
[M+H-H2O]+ 288.12781 162.0
[M+HCOO]- 350.12875 167.7
[M+CH3COO]- 364.14440 174.6
[M+Na-2H]- 326.10522 162.8
[M]+ 305.13000 164.5
[M]- 305.13110 164.5
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.