CID 12442315

37095-49-1

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: 35
Patents: 244.1787 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.18598	163.9
[M+Na]+	267.16792	170.0
[M+NH4]+	262.21252	170.4
[M+K]+	283.14186	164.0
[M-H]-	243.17142	159.1
[M+Na-2H]-	265.15337	152.0
[M]+	244.17815	162.5
[M]-	244.17925	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe