CID 558352

1,5-dinitrosooctahydro-1,5-diazocine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C1CN(CCCN(C1)N=O)N=O
InChI
InChI=1S/C6H12N4O2/c11-7-9-3-1-4-10(8-12)6-2-5-9/h1-6H2
InChIKey
URLYYQHDXKNTGO-UHFFFAOYSA-N
Compound name
1,5-dinitroso-1,5-diazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.09602 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 143.8
[M+Na]+ 195.085238 148.4
[M-H]- 171.088744 145.6
[M+NH4]+ 190.129843 152.1
[M+K]+ 211.059178 149.9
[M+H-H2O]+ 155.093280 139.2
[M+HCOO]- 217.094221 154.6
[M+CH3COO]- 231.109871 223.8
[M+Na-2H]- 193.070686 145.6
[M]+ 172.09547142 143.2
[M]- 172.09656858 143.2
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.