CID 16032

2-(diethylamino)ethanethiol

Structural Information

Molecular Formula
C6H15NS
SMILES
CCN(CC)CCS
InChI
InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChIKey
YBDSNEVSFQMCTL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

2128
Patents

133.09251 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe