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

52
Patents

244.1787 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.185976 159.8
[M+Na]+ 267.167918 156.6
[M-H]- 243.171424 138.4
[M+NH4]+ 262.212523 168.9
[M+K]+ 283.141858 163.0
[M+H-H2O]+ 227.175960 161.3
[M+HCOO]- 289.176901 154.6
[M+CH3COO]- 303.192551 161.3
[M+Na-2H]- 265.153366 169.0
[M]+ 244.17815142 155.1
[M]- 244.17924858 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