CID 535289

Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine

Structural Information

Molecular Formula
C3H6N6O5
SMILES
C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])N=O
InChI
InChI=1S/C3H6N6O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H2
InChIKey
LOSVOOKTCVILPF-UHFFFAOYSA-N
Compound name
1,3-dinitro-5-nitroso-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

25
Patents

206.03996 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04724 136.0
[M+Na]+ 229.02918 141.4
[M-H]- 205.03268 137.3
[M+NH4]+ 224.07378 148.8
[M+K]+ 245.00312 134.1
[M+H-H2O]+ 189.03722 136.6
[M+HCOO]- 251.03816 158.6
[M+CH3COO]- 265.05381 177.6
[M+Na-2H]- 227.01463 147.7
[M]+ 206.03941 130.3
[M]- 206.04051 130.3
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.