CID 41432

2,6-dimethyl-1,4-dinitrosopiperazine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
CC1CN(CC(N1N=O)C)N=O
InChI
InChI=1S/C6H12N4O2/c1-5-3-9(7-11)4-6(2)10(5)8-12/h5-6H,3-4H2,1-2H3
InChIKey
JIWAGFGPBKDFQN-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1,4-dinitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

21
Patents

172.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 134.6
[M+Na]+ 195.08524 142.6
[M-H]- 171.08874 138.4
[M+NH4]+ 190.12984 153.3
[M+K]+ 211.05918 143.3
[M+H-H2O]+ 155.09328 126.8
[M+HCOO]- 217.09422 159.0
[M+CH3COO]- 231.10987 189.6
[M+Na-2H]- 193.07069 141.0
[M]+ 172.09547 135.0
[M]- 172.09657 135.0
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.