CID 3074285

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

Structural Information

Molecular Formula
C12H23NS3
SMILES
CCCC1(SCCS1)CCC2(NCCS2)C
InChI
InChI=1S/C12H23NS3/c1-3-4-12(15-9-10-16-12)6-5-11(2)13-7-8-14-11/h13H,3-10H2,1-2H3
InChIKey
UTLUFWABAWXKBZ-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10655 158.6
[M+Na]+ 300.08849 164.9
[M-H]- 276.09199 160.6
[M+NH4]+ 295.13309 180.5
[M+K]+ 316.06243 160.1
[M+H-H2O]+ 260.09653 155.1
[M+HCOO]- 322.09747 161.1
[M+CH3COO]- 336.11312 168.2
[M+Na-2H]- 298.07394 156.3
[M]+ 277.09872 156.7
[M]- 277.09982 156.7
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.