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 215.2
[M+Na]+ 343.05819 215.9
[M-H]- 319.06169 215.2
[M+NH4]+ 338.10279 215.9
[M+K]+ 359.03213 217.0
[M+H-H2O]+ 303.06623 215.6
[M+HCOO]- 365.06717 217.5
[M+CH3COO]- 379.08282 214.4
[M+Na-2H]- 341.04364 219.6
[M]+ 320.06842 215.9
[M]- 320.06952 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.