CID 16684628

2-(1'-germatranylethyl)-4-pyridine

Structural Information

Molecular Formula
C13H20GeN2O3
SMILES
C1CO[Ge]2(OCCN1CCO2)CCC3=CC=NC=C3
InChI
InChI=1S/C13H20GeN2O3/c1(13-2-5-15-6-3-13)4-14-17-10-7-16(8-11-18-14)9-12-19-14/h2-3,5-6H,1,4,7-12H2
InChIKey
CMRJAQSAJQEZQF-UHFFFAOYSA-N
Compound name
1-(2-pyridin-4-ylethyl)-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.06857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07585 114.6
[M+Na]+ 349.05779 114.7
[M-H]- 325.06129 114.6
[M+NH4]+ 344.10239 114.7
[M+K]+ 365.03173 114.7
[M+H-H2O]+ 309.06583 114.6
[M+HCOO]- 371.06677 114.6
[M+CH3COO]- 385.08242 114.6
[M+Na-2H]- 347.04324 114.5
[M]+ 326.06802 114.6
[M]- 326.06912 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.