CID 16682937

5-aza-2,8,9-trioxa-1-bismabicyclo(3.3.3)undecane

Structural Information

Molecular Formula
C6H12BiNO3
SMILES
C1CO[Bi]2OCCN1CCO2
InChI
InChI=1S/C6H12NO3.Bi/c8-4-1-7(2-5-9)3-6-10;/h1-6H2;/q-3;+3
InChIKey
AYZOYIDAUUFAAL-UHFFFAOYSA-N
Compound name
2,8,9-trioxa-5-aza-1-bismabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06941 114.4
[M+Na]+ 378.05135 114.5
[M-H]- 354.05485 114.4
[M+NH4]+ 373.09595 114.4
[M+K]+ 394.02529 114.5
[M+H-H2O]+ 338.05939 114.3
[M+HCOO]- 400.06033 114.4
[M+CH3COO]- 414.07598 114.4
[M+Na-2H]- 376.03680 114.3
[M]+ 355.06158 114.4
[M]- 355.06268 114.4
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.