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 130.6
[M+Na]+ 186.12869 136.7
[M-H]- 162.13219 133.0
[M+NH4]+ 181.17329 152.1
[M+K]+ 202.10263 126.0
[M+H-H2O]+ 146.13673 131.4
[M+HCOO]- 208.13767 147.5
[M+CH3COO]- 222.15332 174.0
[M+Na-2H]- 184.11414 138.2
[M]+ 163.13892 131.2
[M]- 163.14002 131.2
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.