CID 172268

Dpe-di-n-oxide

Structural Information

Molecular Formula
C12H24N2O2
SMILES
C1CC[N+](CC1)(CC[N+]2(CCCCC2)[O-])[O-]
InChI
InChI=1S/C12H24N2O2/c15-13(7-3-1-4-8-13)11-12-14(16)9-5-2-6-10-14/h1-12H2
InChIKey
VHFJBAOBJDUUAL-UHFFFAOYSA-N
Compound name
1-oxido-1-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

228.18378 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 157.9
[M+Na]+ 251.17300 159.2
[M-H]- 227.17650 157.3
[M+NH4]+ 246.21760 173.9
[M+K]+ 267.14694 147.8
[M+H-H2O]+ 211.18104 159.3
[M+HCOO]- 273.18198 169.5
[M+CH3COO]- 287.19763 170.4
[M+Na-2H]- 249.15845 165.0
[M]+ 228.18323 144.3
[M]- 228.18433 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.