CID 35711

Dibutyl-1,2-dithiolan-4-ylmethylammonium iodide

Structural Information

Molecular Formula
C12H26NS2
SMILES
CCCC[N+](C)(CCCC)C1CSSC1
InChI
InChI=1S/C12H26NS2/c1-4-6-8-13(3,9-7-5-2)12-10-14-15-11-12/h12H,4-11H2,1-3H3/q+1
InChIKey
IKJPDPPSKDHGHU-UHFFFAOYSA-N
Compound name
dibutyl-(dithiolan-4-yl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15067 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15795 154.4
[M+Na]+ 271.13989 158.8
[M-H]- 247.14339 158.2
[M+NH4]+ 266.18449 174.6
[M+K]+ 287.11383 150.6
[M+H-H2O]+ 231.14793 151.0
[M+HCOO]- 293.14887 165.4
[M+CH3COO]- 307.16452 191.4
[M+Na-2H]- 269.12534 155.5
[M]+ 248.15012 154.9
[M]- 248.15122 154.9
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.