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]+ 229.191056 157.9
[M+Na]+ 251.172998 159.2
[M-H]- 227.176504 157.3
[M+NH4]+ 246.217603 173.9
[M+K]+ 267.146938 147.8
[M+H-H2O]+ 211.181040 159.3
[M+HCOO]- 273.181981 169.5
[M+CH3COO]- 287.197631 170.4
[M+Na-2H]- 249.158446 165.0
[M]+ 228.18323142 144.3
[M]- 228.18432858 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.