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
4
Annotation Hits

0
References

116
Patents

416.11392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12120 231.4
[M+Na]+ 439.10314 235.9
[M-H]- 415.10664 240.4
[M+NH4]+ 434.14774 243.4
[M+K]+ 455.07708 235.1
[M+H-H2O]+ 399.11118 206.9
[M+HCOO]- 461.11212 235.7
[M+CH3COO]- 475.12777 211.5
[M+Na-2H]- 437.08859 225.1
[M]+ 416.11337 216.4
[M]- 416.11447 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