CID 8819

1,4-dinitrosopiperazine

Structural Information

Molecular Formula
C4H8N4O2
SMILES
C1CN(CCN1N=O)N=O
InChI
InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
InChIKey
WNSYEWGYAFFSSQ-UHFFFAOYSA-N
Compound name
1,4-dinitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

122
Patents

144.06473 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07201 125.2
[M+Na]+ 167.05395 132.1
[M-H]- 143.05745 128.5
[M+NH4]+ 162.09855 144.4
[M+K]+ 183.02789 133.4
[M+H-H2O]+ 127.06199 117.2
[M+HCOO]- 189.06293 150.3
[M+CH3COO]- 203.07858 181.2
[M+Na-2H]- 165.03940 134.1
[M]+ 144.06418 124.1
[M]- 144.06528 124.1
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.