CID 30930

(3-(dimethylsulfonio)propyl)trimethylammonium diiodide

Structural Information

Molecular Formula
C8H21NS
SMILES
C[N+](C)(C)CCC[S+](C)C
InChI
InChI=1S/C8H21NS/c1-9(2,3)7-6-8-10(4)5/h6-8H2,1-5H3/q+2
InChIKey
ZUCRBICXHIIFKM-UHFFFAOYSA-N
Compound name
3-dimethylsulfoniopropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.13947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14675 133.0
[M+Na]+ 186.12869 146.4
[M+NH4]+ 181.17329 144.4
[M+K]+ 202.10263 140.2
[M-H]- 162.13219 137.5
[M+Na-2H]- 184.11414 139.0
[M]+ 163.13892 137.4
[M]- 163.14002 137.4
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.