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

332
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 119.2
[M+Na]+ 128.05044 126.4
[M-H]- 104.05394 119.9
[M+NH4]+ 123.09504 142.7
[M+K]+ 144.02438 125.6
[M+H-H2O]+ 88.058480 114.5
[M+HCOO]- 150.05942 139.0
[M+CH3COO]- 164.07507 169.9
[M+Na-2H]- 126.03589 123.9
[M]+ 105.06067 120.9
[M]- 105.06177 120.9
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