CID 5460655

1-nitro-3,5-dinitroso-1,3,5-triazinane

Structural Information

Molecular Formula
C3H6N6O4
SMILES
C1N(CN(CN1N=O)[N+](=O)[O-])N=O
InChI
InChI=1S/C3H6N6O4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3H2
InChIKey
HXLUHUHPTTZBCS-UHFFFAOYSA-N
Compound name
1-nitro-3,5-dinitroso-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

10
Patents

190.04506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05234 131.2
[M+Na]+ 213.03428 138.1
[M-H]- 189.03778 133.8
[M+NH4]+ 208.07888 146.4
[M+K]+ 229.00822 135.4
[M+H-H2O]+ 173.04232 127.1
[M+HCOO]- 235.04326 156.4
[M+CH3COO]- 249.05891 183.6
[M+Na-2H]- 211.01973 142.2
[M]+ 190.04451 129.1
[M]- 190.04561 129.1
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.