CID 20124

1,4-dinitropiperazine

Structural Information

Molecular Formula
C4H8N4O4
SMILES
C1CN(CCN1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2
InChIKey
GSUMZAMXDRIYCL-UHFFFAOYSA-N
Compound name
1,4-dinitropiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

51
Patents

176.05455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06183 133.6
[M+Na]+ 199.04377 138.4
[M-H]- 175.04727 134.4
[M+NH4]+ 194.08837 148.7
[M+K]+ 215.01771 130.5
[M+H-H2O]+ 159.05181 135.5
[M+HCOO]- 221.05275 154.6
[M+CH3COO]- 235.06840 168.3
[M+Na-2H]- 197.02922 143.4
[M]+ 176.05400 126.2
[M]- 176.05510 126.2
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