CID 148011

2-(ethylthio)ethylamine

Structural Information

Molecular Formula
C4H11NS
SMILES
CCSCCN
InChI
InChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3
InChIKey
HJCTVUWPHAZTLI-UHFFFAOYSA-N
Compound name
2-ethylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

893
Patents

105.06122 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 119.6
[M+Na]+ 128.05044 126.8
[M-H]- 104.05394 119.7
[M+NH4]+ 123.09504 142.7
[M+K]+ 144.02438 125.6
[M+H-H2O]+ 88.058480 114.8
[M+HCOO]- 150.05942 138.7
[M+CH3COO]- 164.07507 169.2
[M+Na-2H]- 126.03589 123.2
[M]+ 105.06067 120.2
[M]- 105.06177 120.2
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