CID 7549

Dipentax

Structural Information

Molecular Formula

C₅H₁₀N₆O₂

SMILES

C1N2CN(CN1CN(C2)N=O)N=O

InChI

InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2

InChIKey

MWRWFPQBGSZWNV-UHFFFAOYSA-N

Compound name

3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 31601
Patents: 186.08652 Da
Monoisotopic Mass: 0.3
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]+	187.09380	136.8
[M+Na]+	209.07574	144.0
[M-H]-	185.07924	136.4
[M+NH4]+	204.12034	153.2
[M+K]+	225.04968	144.1
[M+H-H2O]+	169.08378	127.4
[M+HCOO]-	231.08472	155.5
[M+CH3COO]-	245.10037	190.8
[M+Na-2H]-	207.06119	146.8
[M]+	186.08597	135.5
[M]-	186.08707	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe