CID 3074289

2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-2-pentylthiazolidine

Structural Information

Molecular Formula
C14H27NS3
SMILES
CCCCCC1(NCCS1)CCC2(SCCS2)C
InChI
InChI=1S/C14H27NS3/c1-3-4-5-6-14(15-9-10-18-14)8-7-13(2)16-11-12-17-13/h15H,3-12H2,1-2H3
InChIKey
DPHNRQUPJZCDAF-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-pentyl-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 164.4
[M+Na]+ 328.11977 170.0
[M+NH4]+ 323.16437 175.9
[M+K]+ 344.09371 158.2
[M-H]- 304.12327 166.6
[M+Na-2H]- 326.10522 168.8
[M]+ 305.13000 167.3
[M]- 305.13110 167.3
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.