CID 16684700

1-((2-amino-1-methylethyl)thio)-2,8,9-trioxa-5-aza-1-germabicyclo(3.3.3)undecane hcl

Structural Information

Molecular Formula
C9H20GeN2O3S
SMILES
CC(CN)S[Ge]12OCCN(CCO1)CCO2
InChI
InChI=1S/C9H20GeN2O3S/c1-9(8-11)16-10-13-5-2-12(3-6-14-10)4-7-15-10/h9H,2-8,11H2,1H3
InChIKey
FCAJWMIBAPAQJM-UHFFFAOYSA-N
Compound name
2-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-ylsulfanyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.04065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04793 169.8
[M+Na]+ 333.02987 169.8
[M+NH4]+ 328.07447 169.8
[M+K]+ 349.00381 169.8
[M-H]- 309.03337 169.8
[M+Na-2H]- 331.01532 169.8
[M]+ 310.04010 169.8
[M]- 310.04120 169.8
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.