CID 12347575

N,n-dimethyl-n-(methylsulfanylmethylene)ammonium iodide

Structural Information

Molecular Formula
C4H10NS
SMILES
C[N+](=CSC)C
InChI
InChI=1S/C4H10NS/c1-5(2)4-6-3/h4H,1-3H3/q+1
InChIKey
LMCFVTKTWNEAKM-UHFFFAOYSA-N
Compound name
dimethyl(methylsulfanylmethylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

104.0534 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06068 115.8
[M+Na]+ 127.04262 123.6
[M-H]- 103.04612 118.6
[M+NH4]+ 122.08722 139.8
[M+K]+ 143.01656 118.4
[M+H-H2O]+ 87.050660 114.0
[M+HCOO]- 149.05160 136.2
[M+CH3COO]- 163.06725 165.2
[M+Na-2H]- 125.02807 122.2
[M]+ 104.05285 116.6
[M]- 104.05395 116.6
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

patents stripe