CID 18670831

N-methyl-2-(methylthio)ethanamine

Structural Information

Molecular Formula
C4H11NS
SMILES
CNCCSC
InChI
InChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
InChIKey
RBEQDVAYBZLKRS-UHFFFAOYSA-N
Compound name
N-methyl-2-methylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

105.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 120.1
[M+Na]+ 128.05044 130.1
[M+NH4]+ 123.09504 129.6
[M+K]+ 144.02438 122.0
[M-H]- 104.05394 121.3
[M+Na-2H]- 126.03589 124.4
[M]+ 105.06067 122.2
[M]- 105.06177 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe