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]+ 121.091970 118.8
[M+Na]+ 143.073912 126.4
[M-H]- 119.077418 121.4
[M+NH4]+ 138.118517 142.5
[M+K]+ 159.047852 121.2
[M+H-H2O]+ 103.081954 117.2
[M+HCOO]- 165.082895 138.0
[M+CH3COO]- 179.098545 169.6
[M+Na-2H]- 141.059360 126.6
[M]+ 120.08414542 120.4
[M]- 120.08524258 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