CID 13361076

Ethylamine, 2,2'-((5,5-nonylidene)dithio)bis-

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 165.8
[M+Na]+ 301.17425 168.4
[M-H]- 277.17775 163.0
[M+NH4]+ 296.21885 181.3
[M+K]+ 317.14819 162.7
[M+H-H2O]+ 261.18229 158.6
[M+HCOO]- 323.18323 174.8
[M+CH3COO]- 337.19888 205.3
[M+Na-2H]- 299.15970 163.3
[M]+ 278.18448 167.8
[M]- 278.18558 167.8
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.