CID 23279044

Diethyl[2-(methylsulfanyl)ethyl]amine

Structural Information

Molecular Formula

SMILES

CCN(CC)CCSC

InChI

InChI=1S/C7H17NS/c1-4-8(5-2)6-7-9-3/h4-7H2,1-3H3

InChIKey

NCEBDVSAEIMPNE-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-methylsulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 147.10817 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.115446	132.9
[M+Na]+	170.097388	139.0
[M-H]-	146.100894	134.6
[M+NH4]+	165.141993	155.4
[M+K]+	186.071328	138.8
[M+H-H2O]+	130.105430	127.3
[M+HCOO]-	192.106371	152.2
[M+CH3COO]-	206.122021	182.6
[M+Na-2H]-	168.082836	135.4
[M]+	147.10762142	137.0
[M]-	147.10871858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe