CID 16684698

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

Structural Information

Molecular Formula
C8H18GeN2O3S
SMILES
C1CO[Ge]2(OCCN1CCO2)SCCN
InChI
InChI=1S/C8H18GeN2O3S/c10-1-8-15-9-12-5-2-11(3-6-13-9)4-7-14-9/h1-8,10H2
InChIKey
SJGIQPUOBDHWSF-UHFFFAOYSA-N
Compound name
2-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-ylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.025 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03228 114.6
[M+Na]+ 319.01422 114.6
[M-H]- 295.01772 114.6
[M+NH4]+ 314.05882 114.6
[M+K]+ 334.98816 114.7
[M+H-H2O]+ 279.02226 114.5
[M+HCOO]- 341.02320 114.6
[M+CH3COO]- 355.03885 114.5
[M+Na-2H]- 316.99967 114.4
[M]+ 296.02445 114.6
[M]- 296.02555 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.