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]+ 321.076246 215.2
[M+Na]+ 343.058188 215.9
[M-H]- 319.061694 215.2
[M+NH4]+ 338.102793 215.9
[M+K]+ 359.032128 217.0
[M+H-H2O]+ 303.066230 215.6
[M+HCOO]- 365.067171 217.5
[M+CH3COO]- 379.082821 214.4
[M+Na-2H]- 341.043636 219.6
[M]+ 320.06842142 215.9
[M]- 320.06951858 215.9
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.