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

1945
Patents

150.03891 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04619 123.3
[M+Na]+ 173.02813 128.3
[M-H]- 149.03163 123.8
[M+NH4]+ 168.07273 141.3
[M+K]+ 189.00207 121.0
[M+H-H2O]+ 133.03617 126.6
[M+HCOO]- 195.03711 151.8
[M+CH3COO]- 209.05276 168.4
[M+Na-2H]- 171.01358 134.5
[M]+ 150.03836 118.9
[M]- 150.03946 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.