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

53
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.