CID 7549

101-25-7

Structural Information

Molecular Formula
C5H10N6O2
SMILES
C1N2CN(CN1CN(C2)N=O)N=O
InChI
InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
InChIKey
MWRWFPQBGSZWNV-UHFFFAOYSA-N
Compound name
3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

6
References

29361
Patents

186.08652 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.093796 136.8
[M+Na]+ 209.075738 144.0
[M-H]- 185.079244 136.4
[M+NH4]+ 204.120343 153.2
[M+K]+ 225.049678 144.1
[M+H-H2O]+ 169.083780 127.4
[M+HCOO]- 231.084721 155.5
[M+CH3COO]- 245.100371 190.8
[M+Na-2H]- 207.061186 146.8
[M]+ 186.08597142 135.5
[M]- 186.08706858 135.5
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