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]+ 145.072006 125.2
[M+Na]+ 167.053948 132.1
[M-H]- 143.057454 128.5
[M+NH4]+ 162.098553 144.4
[M+K]+ 183.027888 133.4
[M+H-H2O]+ 127.061990 117.2
[M+HCOO]- 189.062931 150.3
[M+CH3COO]- 203.078581 181.2
[M+Na-2H]- 165.039396 134.1
[M]+ 144.06418142 124.1
[M]- 144.06527858 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

literature stripe

Patent stripe

patents stripe