CID 23388530

61940-56-5

Structural Information

Molecular Formula
C6H15NS
SMILES
CCN(CC)CSC
InChI
InChI=1S/C6H15NS/c1-4-7(5-2)6-8-3/h4-6H2,1-3H3
InChIKey
OFKMJTXGZQSFBT-UHFFFAOYSA-N
Compound name
N-ethyl-N-(methylsulfanylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

133.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.099786 128.4
[M+Na]+ 156.081728 134.9
[M-H]- 132.085234 130.3
[M+NH4]+ 151.126333 151.4
[M+K]+ 172.055668 135.0
[M+H-H2O]+ 116.089770 123.0
[M+HCOO]- 178.090711 148.0
[M+CH3COO]- 192.106361 179.5
[M+Na-2H]- 154.067176 131.4
[M]+ 133.09196142 132.2
[M]- 133.09305858 132.2
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