CID 10462

N,n'-dinitroethylenediamine

Structural Information

Molecular Formula

C₂H₆N₄O₄

SMILES

C(CN[N+](=O)[O-])N[N+](=O)[O-]

InChI

InChI=1S/C2H6N4O4/c7-5(8)3-1-2-4-6(9)10/h3-4H,1-2H2

InChIKey

QCOXCILKVHKOGO-UHFFFAOYSA-N

Compound name

N-(2-nitramidoethyl)nitramide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1295
Patents: 150.03891 Da
Monoisotopic Mass: 0.8
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]+	151.04619	123.3
[M+Na]+	173.02813	128.3
[M+NH4]+	168.07273	123.8
[M+K]+	189.00207	141.3
[M-H]-	149.03163	121.0
[M+Na-2H]-	171.01358	126.6
[M]+	150.03836	151.8
[M]-	150.03946	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe