CID 469937

2-(2-diethylaminoethylsulfanylmethylsulfanyl)-n,n-diethyl-ethanamine

Structural Information

Molecular Formula
C13H30N2S2
SMILES
CCN(CC)CCSCSCCN(CC)CC
InChI
InChI=1S/C13H30N2S2/c1-5-14(6-2)9-11-16-13-17-12-10-15(7-3)8-4/h5-13H2,1-4H3
InChIKey
DMEOYOIZOJLYSO-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanylmethylsulfanyl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.18503 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19231 166.9
[M+Na]+ 301.17425 169.4
[M-H]- 277.17775 168.1
[M+NH4]+ 296.21885 184.2
[M+K]+ 317.14819 167.0
[M+H-H2O]+ 261.18229 158.8
[M+HCOO]- 323.18323 179.3
[M+CH3COO]- 337.19888 213.0
[M+Na-2H]- 299.15970 164.2
[M]+ 278.18448 174.0
[M]- 278.18558 174.0
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

No patent data available for this compound.