CID 3074286

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

Structural Information

Molecular Formula
C12H23NS3
SMILES
CC(C)C1(NCCS1)CCC2(SCCS2)C
InChI
InChI=1S/C12H23NS3/c1-10(2)12(13-6-7-16-12)5-4-11(3)14-8-9-15-11/h10,13H,4-9H2,1-3H3
InChIKey
SRBVUCRHKVKPDQ-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-2-propan-2-yl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10655 159.4
[M+Na]+ 300.08849 165.2
[M-H]- 276.09199 161.4
[M+NH4]+ 295.13309 181.1
[M+K]+ 316.06243 160.9
[M+H-H2O]+ 260.09653 156.1
[M+HCOO]- 322.09747 160.7
[M+CH3COO]- 336.11312 168.8
[M+Na-2H]- 298.07394 156.3
[M]+ 277.09872 156.9
[M]- 277.09982 156.9
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.