CID 139950

N,n'-dithiobisdiethylamine

Structural Information

Molecular Formula
C8H20N2S2
SMILES
CCN(CC)SSN(CC)CC
InChI
InChI=1S/C8H20N2S2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3
InChIKey
REOGMQUIPSUVSU-UHFFFAOYSA-N
Compound name
N-(diethylaminodisulfanyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

208.1068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11408 145.9
[M+Na]+ 231.09602 150.5
[M-H]- 207.09952 148.1
[M+NH4]+ 226.14062 166.0
[M+K]+ 247.06996 149.4
[M+H-H2O]+ 191.10406 138.7
[M+HCOO]- 253.10500 159.8
[M+CH3COO]- 267.12065 198.4
[M+Na-2H]- 229.08147 145.4
[M]+ 208.10625 151.2
[M]- 208.10735 151.2
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

No patent data available for this compound.