CID 168009

Tenitramine

Structural Information

Molecular Formula
C10H20N6O12
SMILES
C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
InChI
InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2
InChIKey
DLDKCSIJFIPYRK-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

103
Patents

416.11392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.121196 231.4
[M+Na]+ 439.103138 235.9
[M-H]- 415.106644 240.4
[M+NH4]+ 434.147743 243.4
[M+K]+ 455.077078 235.1
[M+H-H2O]+ 399.111180 206.9
[M+HCOO]- 461.112121 235.7
[M+CH3COO]- 475.127771 211.5
[M+Na-2H]- 437.088586 225.1
[M]+ 416.11337142 216.4
[M]- 416.11446858 216.4
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

patents stripe