CID 26368

Hexahydro-1,3,5-trinitroso-1,3,5-triazine

Structural Information

Molecular Formula
C3H6N6O3
SMILES
C1N(CN(CN1N=O)N=O)N=O
InChI
InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2
InChIKey
HFWOSHMLDRSIDN-UHFFFAOYSA-N
Compound name
1,3,5-trinitroso-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

323
Patents

174.05014 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05742 129.6
[M+Na]+ 197.03936 137.6
[M-H]- 173.04286 133.4
[M+NH4]+ 192.08396 146.6
[M+K]+ 213.01330 139.6
[M+H-H2O]+ 157.04740 120.4
[M+HCOO]- 219.04834 156.5
[M+CH3COO]- 233.06399 191.3
[M+Na-2H]- 195.02481 139.4
[M]+ 174.04959 130.9
[M]- 174.05069 130.9
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.