CID 16684629

100446-92-2

Structural Information

Molecular Formula
C12H21GeN3O3
SMILES
CC1=CC(=NN1C[Ge]23OCCN(CCO2)CCO3)C
InChI
InChI=1S/C12H21GeN3O3/c1-11-9-12(2)16(14-11)10-13-17-6-3-15(4-7-18-13)5-8-19-13/h9H,3-8,10H2,1-2H3
InChIKey
CMFFMVKUSBIGGV-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethylpyrazol-1-yl)methyl]-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

329.07947 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08675 169.9
[M+Na]+ 352.06869 169.9
[M+NH4]+ 347.11329 169.9
[M+K]+ 368.04263 169.9
[M-H]- 328.07219 169.9
[M+Na-2H]- 350.05414 169.9
[M]+ 329.07892 169.9
[M]- 329.08002 169.9
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.