CID 3078043

Ethanamine, 2-(2,8,9-trithia-5-aza-1-silabicyclo(3.3.3)undec-1-ylthio)-, dihydrochloride

Structural Information

Molecular Formula
C8H18N2S4Si
SMILES
C1CS[Si]2(SCCN1CCS2)SCCN
InChI
InChI=1S/C8H18N2S4Si/c9-1-5-11-15-12-6-2-10(3-7-13-15)4-8-14-15/h1-9H2
InChIKey
SRQQIPNMRGGJJO-UHFFFAOYSA-N
Compound name
2-(2,8,9-trithia-5-aza-1-silabicyclo[3.3.3]undecan-1-ylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01948 114.3
[M+Na]+ 321.00142 114.4
[M-H]- 297.00492 114.3
[M+NH4]+ 316.04602 114.3
[M+K]+ 336.97536 114.4
[M+H-H2O]+ 281.00946 114.2
[M+HCOO]- 343.01040 114.3
[M+CH3COO]- 357.02605 114.3
[M+Na-2H]- 318.98687 114.2
[M]+ 298.01165 114.3
[M]- 298.01275 114.3
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.