CID 536770

1,1-diamino-2,2-dinitroethylene

Structural Information

Molecular Formula
C2H4N4O4
SMILES
C(=C([N+](=O)[O-])[N+](=O)[O-])(N)N
InChI
InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
InChIKey
FUHQFAMVYDIUKL-UHFFFAOYSA-N
Compound name
2,2-dinitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

650
Patents

148.02325 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03053 122.4
[M+Na]+ 171.01247 127.4
[M-H]- 147.01597 122.0
[M+NH4]+ 166.05707 139.8
[M+K]+ 186.98641 119.8
[M+H-H2O]+ 131.02051 126.0
[M+HCOO]- 193.02145 148.0
[M+CH3COO]- 207.03710 166.1
[M+Na-2H]- 168.99792 129.3
[M]+ 148.02270 113.9
[M]- 148.02380 113.9
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