CID 13361077

Brn 5499511

Structural Information

Molecular Formula
C15H34N2S2
SMILES
CCCCC(CCCC)(SC(C)CN)SC(C)CN
InChI
InChI=1S/C15H34N2S2/c1-5-7-9-15(10-8-6-2,18-13(3)11-16)19-14(4)12-17/h13-14H,5-12,16-17H2,1-4H3
InChIKey
UVHFVOZBRUAISM-UHFFFAOYSA-N
Compound name
2-[5-(1-aminopropan-2-ylsulfanyl)nonan-5-ylsulfanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.21634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22362 175.4
[M+Na]+ 329.20556 176.4
[M-H]- 305.20906 172.3
[M+NH4]+ 324.25016 189.6
[M+K]+ 345.17950 171.4
[M+H-H2O]+ 289.21360 168.0
[M+HCOO]- 351.21454 181.6
[M+CH3COO]- 365.23019 212.6
[M+Na-2H]- 327.19101 170.1
[M]+ 306.21579 177.0
[M]- 306.21689 177.0
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.