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
1
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]+ 173.103296 134.6
[M+Na]+ 195.085238 142.6
[M-H]- 171.088744 138.4
[M+NH4]+ 190.129843 153.3
[M+K]+ 211.059178 143.3
[M+H-H2O]+ 155.093280 126.8
[M+HCOO]- 217.094221 159.0
[M+CH3COO]- 231.109871 189.6
[M+Na-2H]- 193.070686 141.0
[M]+ 172.09547142 135.0
[M]- 172.09656858 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

literature stripe

Patent stripe

patents stripe