CID 41473

Dinitrosohomopiperazine

Structural Information

Molecular Formula

C₅H₁₀N₄O₂

SMILES

C1CN(CCN(C1)N=O)N=O

InChI

InChI=1S/C5H10N4O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5H2

InChIKey

FUCMFBXWLUGVIZ-UHFFFAOYSA-N

Compound name

1,4-dinitroso-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1
Patents: 158.08037 Da
Monoisotopic Mass: -0.5
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]+	159.08765	126.7
[M+Na]+	181.06959	131.5
[M-H]-	157.07309	131.0
[M+NH4]+	176.11419	144.0
[M+K]+	197.04353	137.2
[M+H-H2O]+	141.07763	117.6
[M+HCOO]-	203.07857	150.4
[M+CH3COO]-	217.09422	185.8
[M+Na-2H]-	179.05504	134.6
[M]+	158.07982	122.9
[M]-	158.08092	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe