CID 16701628

1-(1'-germatranyl)ethyl-1-pyrrolidone-2

Structural Information

Molecular Formula
C12H22GeN2O4
SMILES
CC(N1CCCC1=O)[Ge]23OCCN(CCO2)CCO3
InChI
InChI=1S/C12H22GeN2O4/c1-11(15-4-2-3-12(15)16)13-17-8-5-14(6-9-18-13)7-10-19-13/h11H,2-10H2,1H3
InChIKey
PABHRXUOJGJAQW-UHFFFAOYSA-N
Compound name
1-[1-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08641 115.0
[M+Na]+ 355.06835 115.0
[M-H]- 331.07185 115.0
[M+NH4]+ 350.11295 115.0
[M+K]+ 371.04229 115.0
[M+H-H2O]+ 315.07639 114.9
[M+HCOO]- 377.07733 114.9
[M+CH3COO]- 391.09298 114.9
[M+Na-2H]- 353.05380 114.8
[M]+ 332.07858 114.9
[M]- 332.07968 114.9
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.