CID 22809

(methylthiomethyl)trimethylammonium chloride

Structural Information

Molecular Formula
C5H14NS
SMILES
C[N+](C)(C)CSC
InChI
InChI=1S/C5H14NS/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1
InChIKey
CQJCJDGKXWPTCN-UHFFFAOYSA-N
Compound name
trimethyl(methylsulfanylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

120.084694 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.09197 118.8
[M+Na]+ 143.07391 126.4
[M-H]- 119.07742 121.4
[M+NH4]+ 138.11852 142.5
[M+K]+ 159.04785 121.2
[M+H-H2O]+ 103.08195 117.2
[M+HCOO]- 165.08290 138.0
[M+CH3COO]- 179.09854 169.6
[M+Na-2H]- 141.05936 126.6
[M]+ 120.08415 120.4
[M]- 120.08524 120.4
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

patents stripe