CID 30986

Tetraethylcystamine

Structural Information

Molecular Formula
C12H28N2S2
SMILES
CCN(CC)CCSSCCN(CC)CC
InChI
InChI=1S/C12H28N2S2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h5-12H2,1-4H3
InChIKey
MNAQQAGUKWXGLG-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyldisulfanyl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

54
Patents

264.1694 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17668 162.7
[M+Na]+ 287.15862 165.7
[M-H]- 263.16212 164.2
[M+NH4]+ 282.20322 180.6
[M+K]+ 303.13256 163.5
[M+H-H2O]+ 247.16666 154.8
[M+HCOO]- 309.16760 175.4
[M+CH3COO]- 323.18325 210.1
[M+Na-2H]- 285.14407 160.5
[M]+ 264.16885 169.5
[M]- 264.16995 169.5
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.