CID 3079051

2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-((2-aminoethyl)thio)-, monohydrochloride

Structural Information

Molecular Formula
C8H18N2O3SSi
SMILES
C1CO[Si]2(OCCN1CCO2)SCCN
InChI
InChI=1S/C8H18N2O3SSi/c9-1-8-14-15-11-5-2-10(3-6-12-15)4-7-13-15/h1-9H2
InChIKey
OJXHPPRKFGZCAP-UHFFFAOYSA-N
Compound name
2-(2,8,9-trioxa-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

250.08073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08801 114.6
[M+Na]+ 273.06995 114.6
[M-H]- 249.07345 114.6
[M+NH4]+ 268.11455 114.6
[M+K]+ 289.04389 114.7
[M+H-H2O]+ 233.07799 114.5
[M+HCOO]- 295.07893 114.5
[M+CH3COO]- 309.09458 114.5
[M+Na-2H]- 271.05540 114.4
[M]+ 250.08018 114.6
[M]- 250.08128 114.6
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.