CID 12442315

4,10,15-trioxa-1,7-diazabicyclo[5.5.5]heptadecane

Structural Information

Molecular Formula
C12H24N2O3
SMILES
C1COCCN2CCOCCN1CCOCC2
InChI
InChI=1S/C12H24N2O3/c1-7-15-10-4-14-5-11-16-8-2-13(1)3-9-17-12-6-14/h1-12H2
InChIKey
JITJIMMMQDJOHE-UHFFFAOYSA-N
Compound name
4,10,15-trioxa-1,7-diazabicyclo[5.5.5]heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

244.1787 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 159.8
[M+Na]+ 267.16792 156.6
[M-H]- 243.17142 138.4
[M+NH4]+ 262.21252 168.9
[M+K]+ 283.14186 163.0
[M+H-H2O]+ 227.17596 161.3
[M+HCOO]- 289.17690 154.6
[M+CH3COO]- 303.19255 161.3
[M+Na-2H]- 265.15337 169.0
[M]+ 244.17815 155.1
[M]- 244.17925 155.1
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

patents stripe