CID 3046506

Tetramethylenetriamine, 1,7-diaza-2,4,6-trinitro-

Structural Information

Molecular Formula
C4H8N12O6
SMILES
C(N=[N+]=[N-])N(CN(CN(CN=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H8N12O6/c5-9-7-1-11(14(17)18)3-13(16(21)22)4-12(15(19)20)2-8-10-6/h1-4H2
InChIKey
WPRIDFBSTRCALS-UHFFFAOYSA-N
Compound name
N,N-bis[[azidomethyl(nitro)amino]methyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.06897 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07625 176.9
[M+Na]+ 343.05819 179.1
[M+NH4]+ 338.10279 183.4
[M+K]+ 359.03213 188.4
[M-H]- 319.06169 173.8
[M+Na-2H]- 341.04364 172.6
[M]+ 320.06842 178.0
[M]- 320.06952 178.0
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

No patent data available for this compound.