CID 13361076

Brn 5496379

Structural Information

Molecular Formula
C13H30N2S2
SMILES
CCCCC(CCCC)(SCCN)SCCN
InChI
InChI=1S/C13H30N2S2/c1-3-5-7-13(8-6-4-2,16-11-9-14)17-12-10-15/h3-12,14-15H2,1-2H3
InChIKey
UUPDRZUHGHADQA-UHFFFAOYSA-N
Compound name
2-[5-(2-aminoethylsulfanyl)nonan-5-ylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 167.7
[M+Na]+ 301.17425 172.7
[M+NH4]+ 296.21885 174.7
[M+K]+ 317.14819 163.2
[M-H]- 277.17775 167.7
[M+Na-2H]- 299.15970 167.7
[M]+ 278.18448 169.0
[M]- 278.18558 169.0
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.