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

1368
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

literature stripe

Patent stripe

patents stripe